D386-0239 Screening compound: N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

D386-0239 Screening compound: N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
D386-0239 Screening compound: N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-0239
N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-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

D386-0239

Molecular Formula

C19H18N6O2S (C19 H18 N6 O2 S)

Compound Name

N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-[1-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-2-{[5-(pyridin-3-yl)-134-oxadiazol-2-yl]sulfanyl}acetamide

SMILES

CC(c1nc(cccc2)c2n1C)NC(CSc1nnc(-c2cnccc2)o1)=O

InChI

InChI=1S/C19H18N6O2S/c1-12(17-22-14-7-3-4-8-15(14)25(17)2)21-16(26)11-28-19-24-23-18(27-19)13-6-5-9-20-10-13/h3-10,12H,11H2,1-2H3,(H,21,26)/t12-/m0/s1

InChI Key

AYYYKKQSEFKIHH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14825903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.436

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-1.64

Polar Surface Area

74.227

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D386-0239 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D386-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-0239?
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What is the minimum amount of D386-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-0239
  • 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 D386-0239 available by request