8017-9572 Screening compound: N~2~-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-furamide

8017-9572 Screening compound: N~2~-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-furamide
8017-9572 Screening compound: N~2~-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9572
N~2~-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-furamide

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

8017-9572

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

N~2~-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-furamide

IUPAC name

N-[2-methyl-4-(5-methyl-124-oxadiazol-3-yl)phenyl]furan-2-carboxamide

SMILES

Cc1nc(-c(cc2)cc(C)c2NC(c2ccco2)=O)no1

InChI

InChI=1S/C15H13N3O3/c1-9-8-11(14-16-10(2)21-18-14)5-6-12(9)17-15(19)13-4-3-7-20-13/h3-8H,1-2H3,(H,17,19)

InChI Key

QHUWRZWCWXAYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.23

Polar Surface Area

62.115

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-9572 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 8017-9572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9572?
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What is the minimum amount of 8017-9572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9572
  • 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 8017-9572 available by request