3615-0054 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide

3615-0054 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
3615-0054 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0054
2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dimethylphenyl)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

3615-0054

Molecular Formula

C17H16ClN5OS (C17 H16 ClN5 OS)

Compound Name

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

IUPAC name

2-{[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc2nnnn2-c(cc2)ccc2Cl)=O)c1C

InChI

InChI=1S/C17H16ClN5OS/c1-11-4-3-5-15(12(11)2)19-16(24)10-25-17-20-21-22-23(17)14-8-6-13(18)7-9-14/h3-9H,10H2,1-2H3,(H,19,24)

InChI Key

KPLRSSWZMHIGAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.48

Polar Surface Area

62.340

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3615-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0054?
Check Price and Availability of 3615-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3615-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0054
  • 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 3615-0054 available by request