E565-0257 Screening compound: N-(3-chloro-4-methylphenyl)-N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0257 Screening compound: N-(3-chloro-4-methylphenyl)-N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0257 Screening compound: N-(3-chloro-4-methylphenyl)-N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0257
N-(3-chloro-4-methylphenyl)-N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

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

E565-0257

Molecular Formula

C22H18ClN5O2S2 (C22 H18 ClN5 O2 S2)

Compound Name

N-(3-chloro-4-methylphenyl)-N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

IUPAC name

N-(3-chloro-4-methylphenyl)-10-(34-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c2c3scc2)c1nc3Nc1cc(Cl)c(C)cc1)(=O)=O

InChI

InChI=1S/C22H18ClN5O2S2/c1-12-5-7-16(10-14(12)3)32(29,30)22-21-25-20(24-15-6-4-13(2)17(23)11-15)19-18(8-9-31-19)28(21)27-26-22/h4-11H,1-3H3,(H,24,25)

InChI Key

QLKRWHZAELNPOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-6.60

Polar Surface Area

72.313

Acid Dissociation Constant (pKa)

17.44

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E565-0257 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E565-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0257?
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What is the minimum amount of E565-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0257
  • 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 E565-0257 available by request