D400-6125 Screening compound: N-(2,3-dimethylphenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide

D400-6125 Screening compound: N-(2,3-dimethylphenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide
D400-6125 Screening compound: N-(2,3-dimethylphenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6125
N-(2,3-dimethylphenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide

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

D400-6125

Molecular Formula

C19H21N3O4S (C19 H21 N3 O4 S)

Compound Name

N-(2,3-dimethylphenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide

IUPAC name

N-(23-dimethylphenyl)-3-(5-ethyl-124-oxadiazol-3-yl)-4-methoxybenzene-1-sulfonamide

SMILES

CCc1nc(-c(cc(cc2)S(Nc3c(C)c(C)ccc3)(=O)=O)c2OC)no1

InChI

InChI=1S/C19H21N3O4S/c1-5-18-20-19(21-26-18)15-11-14(9-10-17(15)25-4)27(23,24)22-16-8-6-7-12(2)13(16)3/h6-11,22H,5H2,1-4H3

InChI Key

LTQZTDTWXNTLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.37

Polar Surface Area

79.164

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D400-6125 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D400-6125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6125?
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What is the minimum amount of D400-6125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6125
  • 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 D400-6125 available by request