D386-0675 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2-{[5-(1-methyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

D386-0675 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2-{[5-(1-methyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
D386-0675 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2-{[5-(1-methyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-0675
N-[(1H-1,3-benzodiazol-2-yl)methyl]-2-{[5-(1-methyl-1H-indol-2-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

D386-0675

Molecular Formula

C21H18N6O2S (C21 H18 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(-c(o1)nnc1SCC(NCc1nc(cccc2)c2[nH]1)=O)c1)c2c1cccc2

InChI

InChI=1S/C21H18N6O2S/c1-27-16-9-5-2-6-13(16)10-17(27)20-25-26-21(29-20)30-12-19(28)22-11-18-23-14-7-3-4-8-15(14)24-18/h2-10H,11-12H2,1H3,(H,22,28)(H,23,24)

InChI Key

VLSLBLWQUOAJKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.43

Polar Surface Area

76.353

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D386-0675 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 D386-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-0675?
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What is the minimum amount of D386-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-0675
  • 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 D386-0675 available by request