D101-0608 Screening compound: 4-CHLORO-N-METHYL-N-{[3-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}BENZENE-1-SULFONAMIDE

D101-0608 Screening compound: 4-CHLORO-N-METHYL-N-{[3-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}BENZENE-1-SULFONAMIDE
D101-0608 Screening compound: 4-CHLORO-N-METHYL-N-{[3-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}BENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0608
4-CHLORO-N-METHYL-N-{[3-(PYRIDIN-3-YL)-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

D101-0608

Molecular Formula

C15H13ClN4O3S (C15 H13 ClN4 O3 S)

Compound Name

4-CHLORO-N-METHYL-N-{[3-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}BENZENE-1-SULFONAMIDE

IUPAC name

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

SMILES

CN(Cc1nc(-c2cnccc2)no1)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C15H13ClN4O3S/c1-20(24(21,22)13-6-4-12(16)5-7-13)10-14-18-15(19-23-14)11-3-2-8-17-9-11/h2-9H,10H2,1H3

InChI Key

HOXPSXDMXGTUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-3.18

Polar Surface Area

73.663

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D101-0608 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D101-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0608?
Check Price and Availability of D101-0608, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D101-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0608
  • 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 D101-0608 available by request