G640-0285 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G640-0285 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G640-0285 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0285
5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-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

G640-0285

Molecular Formula

C25H29N3O4S2 (C25 H29 N3 O4 S2)

Compound Name

5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

5-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-[(4-methylpiperidin-1-yl)sulfonyl]-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(N(CC3)c4c3cccc4)=O)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C25H29N3O4S2/c1-18-8-12-26(13-9-18)34(31,32)20-6-7-23-22(16-20)28(24(29)11-15-33-23)17-25(30)27-14-10-19-4-2-3-5-21(19)27/h2-7,16,18H,8-15,17H2,1H3

InChI Key

PHMZWQHFDOCJHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.91

Polar Surface Area

63.084

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G640-0285 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCL1 Targeted Library (12200 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G640-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0285?
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What is the minimum amount of G640-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0285
  • 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 G640-0285 available by request