G008-3276 Screening compound: 3-methyl-7-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G008-3276 Screening compound: 3-methyl-7-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G008-3276 Screening compound: 3-methyl-7-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3276
3-methyl-7-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-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

G008-3276

Molecular Formula

C20H22N4O5S2 (C20 H22 N4 O5 S2)

Compound Name

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

IUPAC name

3-methyl-7-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(CSc(ccc(S(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C20H22N4O5S2/c1-14-13-30-19-7-6-17(12-18(19)21-20(14)25)31(28,29)23-10-8-22(9-11-23)15-2-4-16(5-3-15)24(26)27/h2-7,12,14H,8-11,13H2,1H3,(H,21,25)/t14-/m1/s1

InChI Key

IBCOXNACKIEOEG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14975703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.81

Polar Surface Area

93.800

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G008-3276 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 G008-3276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3276?
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What is the minimum amount of G008-3276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3276
  • 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 G008-3276 available by request