G269-0086 Screening compound: 1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)ethan-1-one

G269-0086 Screening compound: 1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)ethan-1-one
G269-0086 Screening compound: 1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0086
1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-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

G269-0086

Molecular Formula

C21H24ClN3O3S2 (C21 H24 ClN3 O3 S2)

Compound Name

1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)ethan-1-one

IUPAC name

1-(7-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-2345-tetrahydro-15-benzothiazepin-5-yl)ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N(CC3)CCN3c3cccc(Cl)c3)(=O)=O)c2SCCC1)=O

InChI

InChI=1S/C21H24ClN3O3S2/c1-16(26)25-8-3-13-29-21-7-6-19(15-20(21)25)30(27,28)24-11-9-23(10-12-24)18-5-2-4-17(22)14-18/h2,4-7,14-15H,3,8-13H2,1H3

InChI Key

GIJCCXCOESUPQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.16

Polar Surface Area

51.593

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G269-0086 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0086?
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What is the minimum amount of G269-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0086
  • 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 G269-0086 available by request