J100-0167 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

J100-0167 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
J100-0167 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 J100-0167
N-(5-chloro-2-methoxyphenyl)-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

J100-0167

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[(3S)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C18H16ClN3O4/c1-26-15-7-6-10(19)8-13(15)20-16(23)9-14-18(25)21-12-5-3-2-4-11(12)17(24)22-14/h2-8,14H,9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t14-/m0/s1

InChI Key

OEDQVOSGHNMEOM-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-3.29

Polar Surface Area

81.033

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J100-0167 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J100-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0167?
Check Price and Availability of J100-0167, 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 J100-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0167
  • 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 J100-0167 available by request