C743-0161 Screening compound: 2-(3,4-diethoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

C743-0161 Screening compound: 2-(3,4-diethoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one
C743-0161 Screening compound: 2-(3,4-diethoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C743-0161
2-(3,4-diethoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-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

C743-0161

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

2-(3,4-diethoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

IUPAC name

2-(34-diethoxyphenyl)-1-(2345-tetrahydro-1H-14-benzodiazepin-4-yl)ethan-1-one

SMILES

CCOc(ccc(CC(N1Cc(cccc2)c2NCC1)=O)c1)c1OCC

InChI

InChI=1S/C21H26N2O3/c1-3-25-19-10-9-16(13-20(19)26-4-2)14-21(24)23-12-11-22-18-8-6-5-7-17(18)15-23/h5-10,13,22H,3-4,11-12,14-15H2,1-2H3

InChI Key

HFAPAVDAVKSMML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.16

Polar Surface Area

42.331

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C743-0161 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C743-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C743-0161?
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What is the minimum amount of C743-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C743-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C743-0161
  • 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 C743-0161 available by request