3736-0362 Screening compound: 2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-[4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

3736-0362 Screening compound: 2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-[4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
3736-0362 Screening compound: 2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-[4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3736-0362
2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-[4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-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

3736-0362

Molecular Formula

C20H17N9O3S (C20 H17 N9 O3 S)

Compound Name

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

IUPAC name

2-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-[4-(1-methyl-1H-13-benzodiazol-2-yl)-125-oxadiazol-3-yl]acetamide

SMILES

Cn1c(-c2nonc2NC(CSc2nnnn2-c(cc2)ccc2OC)=O)nc2c1cccc2

InChI

InChI=1S/C20H17N9O3S/c1-28-15-6-4-3-5-14(15)21-19(28)17-18(25-32-24-17)22-16(30)11-33-20-23-26-27-29(20)12-7-9-13(31-2)10-8-12/h3-10H,11H2,1-2H3,(H,22,25,30)

InChI Key

FRMSLPYTKDNCJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.73

Polar Surface Area

118.349

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3736-0362 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 3736-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3736-0362?
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What is the minimum amount of 3736-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3736-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3736-0362
  • 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 3736-0362 available by request