J101-0197 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(5-acetamido-2-methoxyphenyl)propanamide

J101-0197 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(5-acetamido-2-methoxyphenyl)propanamide
J101-0197 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(5-acetamido-2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0197
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(5-acetamido-2-methoxyphenyl)propanamide

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

J101-0197

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(5-acetamido-2-methoxyphenyl)propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-(5-acetamido-2-methoxyphenyl)propanamide

SMILES

CC(Nc(cc1)cc(NC(CCC(C(Nc2c3cccc2)=O)NC3=O)=O)c1OC)=O

InChI

InChI=1S/C21H22N4O5/c1-12(26)22-13-7-9-18(30-2)17(11-13)23-19(27)10-8-16-21(29)24-15-6-4-3-5-14(15)20(28)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)(H,25,28)/t16-/m0/s1

InChI Key

CAHCSKYSFVWEFV-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

1.323

Water Solubility, LogSw

-2.29

Polar Surface Area

104.294

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

J101-0197 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 J101-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0197?
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What is the minimum amount of J101-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0197
  • 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 J101-0197 available by request