D216-0447 Screening compound: N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

D216-0447 Screening compound: N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
D216-0447 Screening compound: N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0447
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

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

D216-0447

Molecular Formula

C22H20ClN5O2S (C22 H20 ClN5 O2 S)

Compound Name

N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

IUPAC name

N-benzyl-N-[(2-chlorophenyl)methyl]-3-methyl-4-(1H-1234-tetrazol-1-yl)benzene-1-sulfonamide

SMILES

Cc(cc(cc1)S(N(Cc2ccccc2)Cc(cccc2)c2Cl)(=O)=O)c1-n1nnnc1

InChI

InChI=1S/C22H20ClN5O2S/c1-17-13-20(11-12-22(17)28-16-24-25-26-28)31(29,30)27(14-18-7-3-2-4-8-18)15-19-9-5-6-10-21(19)23/h2-13,16H,14-15H2,1H3

InChI Key

PWRVSFWVDYHKPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03737113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-5.28

Polar Surface Area

70.807

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D216-0447 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0447?
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What is the minimum amount of D216-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0447
  • 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 D216-0447 available by request