J100-0269 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

J100-0269 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
J100-0269 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0269
N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J100-0269

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-1-yl)ethyl]-2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamide

SMILES

O=C(C[C@H](C(Nc1c2cccc1)=O)NC2=O)NCCn1c(cccc2)c2nc1

InChI

InChI=1S/C20H19N5O3/c26-18(21-9-10-25-12-22-15-7-3-4-8-17(15)25)11-16-20(28)23-14-6-2-1-5-13(14)19(27)24-16/h1-8,12,16H,9-11H2,(H,21,26)(H,23,28)(H,24,27)/t16-/m1/s1

InChI Key

YYYTXFGWCNWMQE-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-2.27

Polar Surface Area

85.698

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J100-0269 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0269?
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What is the minimum amount of J100-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0269
  • 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 J100-0269 available by request