3951-0001 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

3951-0001 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one
3951-0001 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3951-0001
1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

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

3951-0001

Molecular Formula

C16H13ClN4O2S (C16 H13 ClN4 O2 S)

Compound Name

1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}ethan-1-one

SMILES

COc(cc1)ccc1-n1nnnc1SCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C16H13ClN4O2S/c1-23-14-8-6-13(7-9-14)21-16(18-19-20-21)24-10-15(22)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3

InChI Key

UPZRLUMCGXZBQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-4.09

Polar Surface Area

60.680

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3951-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3951-0001?
Check Price and Availability of 3951-0001, 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 3951-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3951-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3951-0001
  • 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 3951-0001 available by request