G008-1623 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G008-1623 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G008-1623 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1623
7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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

G008-1623

Molecular Formula

C22H26ClN3O4S2 (C22 H26 ClN3 O4 S2)

Compound Name

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

IUPAC name

7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2-methyl-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(C1)Sc(ccc(S(N2CCN(CCOc(cc3)ccc3Cl)CC2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C22H26ClN3O4S2/c1-16-14-22(27)24-20-15-19(6-7-21(20)31-16)32(28,29)26-10-8-25(9-11-26)12-13-30-18-4-2-17(23)3-5-18/h2-7,15-16H,8-14H2,1H3,(H,24,27)/t16-/m1/s1

InChI Key

BDGLNDAEMSEDLO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14974845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.94

Polar Surface Area

68.038

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G008-1623 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1623?
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What is the minimum amount of G008-1623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1623
  • 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 G008-1623 available by request