G434-0526F Screening compound: 3,5-dimethyl-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)-4-isoxazolesulfonamide

G434-0526F Screening compound: 3,5-dimethyl-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)-4-isoxazolesulfonamide
G434-0526F Screening compound: 3,5-dimethyl-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G434-0526F
3,5-dimethyl-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)-4-isoxazolesulfonamide

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

G434-0526F

Molecular Formula

C15H17N3O5S (C15 H17 N3 O5 S)

Compound Name

3,5-dimethyl-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)-4-isoxazolesulfonamide

IUPAC name

35-dimethyl-N-(2-oxo-3-propyl-23-dihydro-13-benzoxazol-6-yl)-12-oxazole-4-sulfonamide

SMILES

CCCN(c(ccc(NS(c1c(C)onc1C)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C15H17N3O5S/c1-4-7-18-12-6-5-11(8-13(12)22-15(18)19)17-24(20,21)14-9(2)16-23-10(14)3/h5-6,8,17H,4,7H2,1-3H3

InChI Key

SQORMPZJLIRXQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.90

Polar Surface Area

86.005

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G434-0526F in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G434-0526F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G434-0526F?
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What is the minimum amount of G434-0526F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G434-0526F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G434-0526F
  • 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 G434-0526F available by request