8017-4448 Screening compound: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-1,2,3,4-tetraazol-1-yl}phenyl)-1-ethanone

8017-4448 Screening compound: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-1,2,3,4-tetraazol-1-yl}phenyl)-1-ethanone
8017-4448 Screening compound: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-1,2,3,4-tetraazol-1-yl}phenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4448
1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-1,2,3,4-tetraazol-1-yl}phenyl)-1-ethanone

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

8017-4448

Molecular Formula

C16H13ClN4O3S (C16 H13 ClN4 O3 S)

Compound Name

1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-1,2,3,4-tetraazol-1-yl}phenyl)-1-ethanone

IUPAC name

1-(3-{5-[(3-chlorophenyl)methanesulfonyl]-1H-1234-tetrazol-1-yl}phenyl)ethan-1-one

SMILES

CC(c1cccc(-n2nnnc2S(Cc2cccc(Cl)c2)(=O)=O)c1)=O

InChI

InChI=1S/C16H13ClN4O3S/c1-11(22)13-5-3-7-15(9-13)21-16(18-19-20-21)25(23,24)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3

InChI Key

VMFCIDSTIJTUES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-3.19

Polar Surface Area

83.123

Acid Dissociation Constant (pKa)

19.95

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-4448 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-4448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4448?
Check Price and Availability of 8017-4448, 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 8017-4448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4448
  • 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 8017-4448 available by request