L389-0546 Screening compound: 2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

L389-0546 Screening compound: 2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide
L389-0546 Screening compound: 2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L389-0546
2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

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

L389-0546

Molecular Formula

C24H26ClN3OS (C24 H26 ClN3 OS)

Compound Name

2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

IUPAC name

2-{[4-(4-chlorophenyl)-78-dimethyl-3H-15-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

SMILES

Cc(c(C)c1)cc(N=C(C2)c(cc3)ccc3Cl)c1N=C2SCC(NC1CCCC1)=O

InChI

InChI=1S/C24H26ClN3OS/c1-15-11-21-22(12-16(15)2)28-24(30-14-23(29)26-19-5-3-4-6-19)13-20(27-21)17-7-9-18(25)10-8-17/h7-12,19H,3-6,13-14H2,1-2H3,(H,26,29)

InChI Key

PJQFLGUFXASFSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.663

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-6.01

Polar Surface Area

42.752

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L389-0546 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 L389-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L389-0546?
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What is the minimum amount of L389-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L389-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L389-0546
  • 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 L389-0546 available by request