G637-3615 Screening compound: 5-[1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

G637-3615 Screening compound: 5-[1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
G637-3615 Screening compound: 5-[1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-3615
5-[1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

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

G637-3615

Molecular Formula

C28H29F2N3O4S2 (C28 H29 F2 N3 O4 S2)

Compound Name

5-[1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

IUPAC name

5-[1-({5-[(1E)-2-(24-difluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3-methyl-2345-tetrahydro-15-benzothiazepine

SMILES

CC(C1)CSc(cccc2)c2N1C(C(CC1)CCN1S(c1c(/C=C/c(ccc(F)c2)c2F)onc1C)(=O)=O)=O

InChI

InChI=1S/C28H29F2N3O4S2/c1-18-16-33(24-5-3-4-6-26(24)38-17-18)28(34)21-11-13-32(14-12-21)39(35,36)27-19(2)31-37-25(27)10-8-20-7-9-22(29)15-23(20)30/h3-10,15,18,21H,11-14,16-17H2,1-2H3/t18-/m0/s1

InChI Key

FXSDXFUPIRGHMK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15024749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-4.91

Polar Surface Area

69.042

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

G637-3615 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G637-3615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-3615?
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What is the minimum amount of G637-3615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-3615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-3615
  • 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 G637-3615 available by request