D101-0604 Screening compound: 4-chloro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1-sulfonamide

D101-0604 Screening compound: 4-chloro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1-sulfonamide
D101-0604 Screening compound: 4-chloro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0604
4-chloro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzene-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

D101-0604

Molecular Formula

C16H14ClN3O3S (C16 H14 ClN3 O3 S)

Compound Name

4-chloro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-methyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]benzene-1-sulfonamide

SMILES

CN(Cc1nc(-c2ccccc2)no1)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C16H14ClN3O3S/c1-20(24(21,22)14-9-7-13(17)8-10-14)11-15-18-16(19-23-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3

InChI Key

QIQVZYTUIMQHNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.56

Polar Surface Area

64.146

Acid Dissociation Constant (pKa)

29.20

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D101-0604 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D101-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0604?
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What is the minimum amount of D101-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0604
  • 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 D101-0604 available by request