M881-0033 Screening compound: N-(4-acetylphenyl)-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide

M881-0033 Screening compound: N-(4-acetylphenyl)-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide
M881-0033 Screening compound: N-(4-acetylphenyl)-2-{[4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M881-0033
N-(4-acetylphenyl)-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

M881-0033

Molecular Formula

C23H18N4O3S (C23 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CSc1nccc(-c2nc(-c3ccccc3)no2)c1)=O)=O

InChI

InChI=1S/C23H18N4O3S/c1-15(28)16-7-9-19(10-8-16)25-20(29)14-31-21-13-18(11-12-24-21)23-26-22(27-30-23)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,25,29)

InChI Key

QUHKGVSFOLGCMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.29

Polar Surface Area

76.758

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

M881-0033 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 M881-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M881-0033?
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What is the minimum amount of M881-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M881-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M881-0033
  • 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 M881-0033 available by request