J100-0076 Screening compound: N-(2-chloro-4-methylphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

J100-0076 Screening compound: N-(2-chloro-4-methylphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
J100-0076 Screening compound: N-(2-chloro-4-methylphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0076
N-(2-chloro-4-methylphenyl)-2-(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

J100-0076

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

N-(2-chloro-4-methylphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-[(3S)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C18H16ClN3O3/c1-10-6-7-14(12(19)8-10)20-16(23)9-15-18(25)21-13-5-3-2-4-11(13)17(24)22-15/h2-8,15H,9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t15-/m0/s1

InChI Key

VGJWDZKAZQOMOL-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-3.49

Polar Surface Area

73.402

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J100-0076 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J100-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0076?
Check Price and Availability of J100-0076, 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 J100-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0076
  • 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 J100-0076 available by request