G008-4997 Screening compound: ethyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate

G008-4997 Screening compound: ethyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate
G008-4997 Screening compound: ethyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-4997
ethyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate

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

G008-4997

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

ethyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate

IUPAC name

ethyl 3-[5-(3-methyl-12-oxazol-5-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c2c(C(C)C)ccc(-c3cc(C)no3)c2)(=O)=O)c1)=O

InChI

InChI=1S/C22H24N2O5S/c1-5-28-22(25)17-7-6-8-18(12-17)24-30(26,27)21-13-16(9-10-19(21)14(2)3)20-11-15(4)23-29-20/h6-14,24H,5H2,1-4H3

InChI Key

JJPOHZBRRYJLCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-5.33

Polar Surface Area

82.983

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G008-4997 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G008-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-4997?
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What is the minimum amount of G008-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-4997
  • 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 G008-4997 available by request