G637-0971 Screening compound: 1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

G637-0971 Screening compound: 1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
G637-0971 Screening compound: 1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0971
1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)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

G637-0971

Molecular Formula

C30H33FN4O5S (C30 H33 FN4 O5 S)

Compound Name

1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

1-(4-{4-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(C(CC1)CCN1S(c1c(/C=C/c(cccc2)c2F)onc1C)(=O)=O)=O)=O

InChI

InChI=1S/C30H33FN4O5S/c1-21-29(28(40-32-21)12-9-24-5-3-4-6-27(24)31)41(38,39)35-15-13-25(14-16-35)30(37)34-19-17-33(18-20-34)26-10-7-23(8-11-26)22(2)36/h3-12,25H,13-20H2,1-2H3

InChI Key

WHASFRRUYGTUDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.59

Polar Surface Area

87.200

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

G637-0971 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G637-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0971?
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What is the minimum amount of G637-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0971
  • 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 G637-0971 available by request