L610-0645 Screening compound: 4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-(4-ethylbenzyl)benzamide

Chemical Structure Depiction of ChemDiv screening compound L610-0645
4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-(4-ethylbenzyl)benzamide

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

L610-0645

Molecular Formula

C₂₉H₂₉N₃O₃ (C29 H29 N3 O3)

Compound Name

4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-(4-ethylbenzyl)benzamide

IUPAC name

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

SMILES

CCc1ccc(CNC(c2ccc(CN(c(cccc3)c3C(N3C4CCC3)=O)C4=O)cc2)=O)cc1

InChI

InChI=1S/C29H29N3O3/c1-2-20-9-11-21(12-10-20)18-30-27(33)23-15-13-22(14-16-23)19-32-25-7-4-3-6-24(25)28(34)31-17-5-8-26(31)29(32)35/h3-4,6-7,9-16,26H,2,5,8,17-19H2,1H3,(H,30,33)/t26-/m0/s1

InChI Key

IPJCWBCCAFTKAR-SANMLTNESA-N

MDL Number (MFCD)

MFCD27465909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.73

Polar Surface Area

56.686

Acid Dissociation Constant (pK_a)

11.60

Base Dissociation Constant (pK_b)

-3.79

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

27.60

L610-0645 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 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

Structure:

Mimetics
Mimetics
Mimetics

Targets:

Proteases

References: we are preparing a list of scientific research reports with L610-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L610-0645?
Check Price and Availability of L610-0645, 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 L610-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L610-0645
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for L610-0645

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 L610-0645 available by request