D268-0394 Screening compound: N-[(furan-2-yl)methyl]-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide

D268-0394 Screening compound: N-[(furan-2-yl)methyl]-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide
D268-0394 Screening compound: N-[(furan-2-yl)methyl]-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0394
N-[(furan-2-yl)methyl]-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]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

D268-0394

Molecular Formula

C17H14N4O2S (C17 H14 N4 O2 S)

Compound Name

N-[(furan-2-yl)methyl]-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[2-(13-thiazol-5-yl)-1H-13-benzodiazol-1-yl]acetamide

SMILES

O=C(Cn1c(-c2cncs2)nc2c1cccc2)NCc1ccco1

InChI

InChI=1S/C17H14N4O2S/c22-16(19-8-12-4-3-7-23-12)10-21-14-6-2-1-5-13(14)20-17(21)15-9-18-11-24-15/h1-7,9,11H,8,10H2,(H,19,22)

InChI Key

JLWNVCLLVQUJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.03

Polar Surface Area

52.214

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D268-0394 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 D268-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0394?
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What is the minimum amount of D268-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0394
  • 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 D268-0394 available by request