M284-0752 Screening compound: N~1~-(4-fluorobenzyl)-2-[9-methyl-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide

Chemical Structure Depiction of ChemDiv screening compound M284-0752
N~1~-(4-fluorobenzyl)-2-[9-methyl-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M284-0752

Molecular Formula

C₂₂H₂₂FN₃O₃ (C22 H22 FN3 O3)

Compound Name

N~1~-(4-fluorobenzyl)-2-[9-methyl-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{11-methyl-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}acetamide

SMILES

Cc1cccc(C(N2C3CCC2)=O)c1N(CC(NCc(cc1)ccc1F)=O)C3=O

InChI

InChI=1S/C22H22FN3O3/c1-14-4-2-5-17-20(14)26(22(29)18-6-3-11-25(18)21(17)28)13-19(27)24-12-15-7-9-16(23)10-8-15/h2,4-5,7-10,18H,3,6,11-13H2,1H3,(H,24,27)/t18-/m0/s1

InChI Key

WKULYJHDLXTBQM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27535069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.69

Polar Surface Area

57.902

Acid Dissociation Constant (pK_a)

12.67

Base Dissociation Constant (pK_b)

-2.41

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

31.80

M284-0752 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Antiviral
Infections
Immune system
Hemic and lymphatic
Cardiovascular
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Mimetics
Mimetics
Cyclic compounds
Mimetics
Mimetics

Targets:

Proteases

References: we are preparing a list of scientific research reports with M284-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M284-0752?
Check Price and Availability of M284-0752, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of M284-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for M284-0752
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for M284-0752

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M284-0752 available by request