C386-0455 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

C386-0455 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
C386-0455 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C386-0455
2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)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

C386-0455

Molecular Formula

C26H24ClN3O4 (C26 H24 ClN3 O4)

Compound Name

2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

IUPAC name

2-(7-chloro-3-methyl-2-oxo-5-phenyl-23-dihydro-1H-14-benzodiazepin-1-yl)-N-(34-dimethoxyphenyl)acetamide

SMILES

CC1N=C(c2ccccc2)c(cc(cc2)Cl)c2N(CC(Nc(cc2)cc(OC)c2OC)=O)C1=O

InChI

InChI=1S/C26H24ClN3O4/c1-16-26(32)30(15-24(31)29-19-10-12-22(33-2)23(14-19)34-3)21-11-9-18(27)13-20(21)25(28-16)17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,29,31)/t16-/m1/s1

InChI Key

OZYWCQBETJJEHK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14755231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-4.22

Polar Surface Area

62.130

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C386-0455 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C386-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C386-0455?
Check Price and Availability of C386-0455, 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 C386-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C386-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C386-0455
  • 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 C386-0455 available by request