E565-0144 Screening compound: N-(3-methoxyphenyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0144 Screening compound: N-(3-methoxyphenyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0144 Screening compound: N-(3-methoxyphenyl)-N-{3-[(4-methylphenyl)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 E565-0144
N-(3-methoxyphenyl)-N-{3-[(4-methylphenyl)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

E565-0144

Molecular Formula

C21H17N5O3S2 (C21 H17 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3Nc1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C21H17N5O3S2/c1-13-6-8-16(9-7-13)31(27,28)21-20-23-19(22-14-4-3-5-15(12-14)29-2)18-17(10-11-30-18)26(20)25-24-21/h3-12H,1-2H3,(H,22,23)

InChI Key

NEVHBTFXPCFPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.70

Polar Surface Area

79.857

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E565-0144 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E565-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0144?
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What is the minimum amount of E565-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0144
  • 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 E565-0144 available by request