M284-0891 Screening compound: 2-[8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(2-methylphenyl)acetamide

Chemical Structure Depiction of ChemDiv screening compound M284-0891
2-[8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(2-methylphenyl)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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M284-0891

Molecular Formula

C₂₁H₂₀FN₃O₃ (C21 H20 FN3 O3)

Compound Name

2-[8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(2-methylphenyl)acetamide

IUPAC name

2-{12-fluoro-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CN(c(cc(cc1)F)c1C(N1C2CCC1)=O)C2=O)=O

InChI

InChI=1S/C21H20FN3O3/c1-13-5-2-3-6-16(13)23-19(26)12-25-18-11-14(22)8-9-15(18)20(27)24-10-4-7-17(24)21(25)28/h2-3,5-6,8-9,11,17H,4,7,10,12H2,1H3,(H,23,26)/t17-/m1/s1

InChI Key

DLMLBMHVDHAVHH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27535086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.800

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.73

Polar Surface Area

54.725

Acid Dissociation Constant (pK_a)

12.36

Base Dissociation Constant (pK_b)

0.08

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

28.60

M284-0891 in Drug Discovery

Included in Screening Libraries

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 M284-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M284-0891?
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What is the minimum amount of M284-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for M284-0891
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for M284-0891

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 M284-0891 available by request