2332-0678 Screening compound: 7-chloro-4-pentanoyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2332-0678 Screening compound: 7-chloro-4-pentanoyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2332-0678 Screening compound: 7-chloro-4-pentanoyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0678
7-chloro-4-pentanoyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

2332-0678

Molecular Formula

C20H21ClN2O2 (C20 H21 ClN2 O2)

Compound Name

7-chloro-4-pentanoyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-4-pentanoyl-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

CCCCC(N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O

InChI

InChI=1S/C20H21ClN2O2/c1-2-3-9-19(25)23-13-18(24)22-17-11-10-15(21)12-16(17)20(23)14-7-5-4-6-8-14/h4-8,10-12,20H,2-3,9,13H2,1H3,(H,22,24)/t20-/m0/s1

InChI Key

BLDPMXSDLCVFOA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01531392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.58

Polar Surface Area

40.770

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

2332-0678 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 2332-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0678?
Check Price and Availability of 2332-0678, 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 2332-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0678
  • 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 2332-0678 available by request