G305-2139 Screening compound: N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)propanamide

G305-2139 Screening compound: N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)propanamide
G305-2139 Screening compound: N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G305-2139
N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)propanamide

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

G305-2139

Molecular Formula

C17H17N3O5S2 (C17 H17 N3 O5 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)propanamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-3-(2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)propanamide

SMILES

CSc1cccc(NC(CCNS(c(cc2)cc(O3)c2NC3=O)(=O)=O)=O)c1

InChI

InChI=1S/C17H17N3O5S2/c1-26-12-4-2-3-11(9-12)19-16(21)7-8-18-27(23,24)13-5-6-14-15(10-13)25-17(22)20-14/h2-6,9-10,18H,7-8H2,1H3,(H,19,21)(H,20,22)

InChI Key

NEKYFCMJMYJUME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14996248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.96

Polar Surface Area

98.405

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G305-2139 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G305-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G305-2139?
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What is the minimum amount of G305-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G305-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G305-2139
  • 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 G305-2139 available by request