M881-0951 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide

M881-0951 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide
M881-0951 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M881-0951
N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide

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

M881-0951

Molecular Formula

C22H17FN4O2S (C22 H17 FN4 O2 S)

Compound Name

N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-{[4-(3-phenyl-124-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nccc(-c2nc(-c3ccccc3)no2)c1)NCc(cccc1)c1F

InChI

InChI=1S/C22H17FN4O2S/c23-18-9-5-4-8-17(18)13-25-19(28)14-30-20-12-16(10-11-24-20)22-26-21(27-29-22)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)

InChI Key

XWSZGNRVLATNCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.82

Polar Surface Area

64.253

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

M881-0951 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 M881-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M881-0951?
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What is the minimum amount of M881-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M881-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M881-0951
  • 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 M881-0951 available by request