M021-0139 Screening compound: N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

M021-0139 Screening compound: N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
M021-0139 Screening compound: N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M021-0139
N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-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

M021-0139

Molecular Formula

C19H17N5O4S2 (C19 H17 N5 O4 S2)

Compound Name

N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

IUPAC name

N-(3-cyanophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]thiophene-3-sulfonamide

SMILES

Cc(sc(-c1nnc(C(N2CCCC2)=O)o1)c1)c1S(Nc1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C19H17N5O4S2/c1-12-16(30(26,27)23-14-6-4-5-13(9-14)11-20)10-15(29-12)17-21-22-18(28-17)19(25)24-7-2-3-8-24/h4-6,9-10,23H,2-3,7-8H2,1H3

InChI Key

VXXQOIIIDGYFSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-3.06

Polar Surface Area

106.493

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M021-0139 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 M021-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M021-0139?
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What is the minimum amount of M021-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M021-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M021-0139
  • 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 M021-0139 available by request