D513-3683 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]benzene-1-sulfonamide

D513-3683 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]benzene-1-sulfonamide
D513-3683 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3683
4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]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

D513-3683

Molecular Formula

C22H19Cl2N5O2S (C22 H19 Cl2 N5 O2 S)

Compound Name

4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(4-ethenylphenyl)methyl]benzene-1-sulfonamide

SMILES

Cc(n1nc(N(Cc2ccc(C=C)cc2)S(c(cc2)ccc2Cl)(=O)=O)nc1nc1C)c1Cl

InChI

InChI=1S/C22H19Cl2N5O2S/c1-4-16-5-7-17(8-6-16)13-28(32(30,31)19-11-9-18(23)10-12-19)22-26-21-25-14(2)20(24)15(3)29(21)27-22/h4-12H,1,13H2,2-3H3

InChI Key

BFGHJLAREOQIFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.87

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D513-3683 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D513-3683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3683?
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What is the minimum amount of D513-3683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3683
  • 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 D513-3683 available by request