8016-6553 Screening compound: 2-[(2-cyanophenyl)sulfanyl]-N~1~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]benzamide

8016-6553 Screening compound: 2-[(2-cyanophenyl)sulfanyl]-N~1~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]benzamide
8016-6553 Screening compound: 2-[(2-cyanophenyl)sulfanyl]-N~1~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6553
2-[(2-cyanophenyl)sulfanyl]-N~1~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]benzamide

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

8016-6553

Molecular Formula

C24H17N3O2S (C24 H17 N3 O2 S)

Compound Name

2-[(2-cyanophenyl)sulfanyl]-N~1~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]benzamide

IUPAC name

2-[(2-cyanophenyl)sulfanyl]-N-[4-(2-methyl-13-oxazol-5-yl)phenyl]benzamide

SMILES

Cc1ncc(-c(cc2)ccc2NC(c(cccc2)c2Sc(cccc2)c2C#N)=O)o1

InChI

InChI=1S/C24H17N3O2S/c1-16-26-15-21(29-16)17-10-12-19(13-11-17)27-24(28)20-7-3-5-9-23(20)30-22-8-4-2-6-18(22)14-25/h2-13,15H,1H3,(H,27,28)

InChI Key

ISMOGLVMYBYGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-4.70

Polar Surface Area

57.066

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8016-6553 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 8016-6553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6553?
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What is the minimum amount of 8016-6553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6553
  • 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 8016-6553 available by request