3175-0726 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

3175-0726 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide
3175-0726 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0726
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-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

3175-0726

Molecular Formula

C16H12ClN5O3S (C16 H12 ClN5 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[1-(3-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H12ClN5O3S/c17-10-2-1-3-12(6-10)22-16(19-20-21-22)26-8-15(23)18-11-4-5-13-14(7-11)25-9-24-13/h1-7H,8-9H2,(H,18,23)

InChI Key

SFAIVQPUSQKZHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.67

Polar Surface Area

80.154

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3175-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0726?
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What is the minimum amount of 3175-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0726
  • 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 3175-0726 available by request