C301-7666 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-yl]-3-methoxybenzamide

C301-7666 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-yl]-3-methoxybenzamide
C301-7666 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7666
N-[4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-yl]-3-methoxybenzamide

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

C301-7666

Molecular Formula

C17H12N4O3S (C17 H12 N4 O3 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-yl]-3-methoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-125-oxadiazol-3-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc2nonc2-c2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C17H12N4O3S/c1-23-11-6-4-5-10(9-11)16(22)19-15-14(20-24-21-15)17-18-12-7-2-3-8-13(12)25-17/h2-9H,1H3,(H,19,21,22)

InChI Key

ZKEVNXLHTSERNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.47

Polar Surface Area

77.350

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C301-7666 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-7666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7666?
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What is the minimum amount of C301-7666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7666
  • 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 C301-7666 available by request