E565-0499 Screening compound: N-(3,5-dimethylphenyl)-N-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0499 Screening compound: N-(3,5-dimethylphenyl)-N-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0499 Screening compound: N-(3,5-dimethylphenyl)-N-{3-[(4-ethylphenyl)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 E565-0499
N-(3,5-dimethylphenyl)-N-{3-[(4-ethylphenyl)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

E565-0499

Molecular Formula

C23H21N5O2S2 (C23 H21 N5 O2 S2)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-10-(4-ethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3Nc1cc(C)cc(C)c1)(=O)=O

InChI

InChI=1S/C23H21N5O2S2/c1-4-16-5-7-18(8-6-16)32(29,30)23-22-25-21(24-17-12-14(2)11-15(3)13-17)20-19(9-10-31-20)28(22)27-26-23/h5-13H,4H2,1-3H3,(H,24,25)

InChI Key

YFLVPIOFTBCQFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-5.57

Polar Surface Area

72.313

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E565-0499 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 E565-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0499?
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What is the minimum amount of E565-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0499
  • 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 E565-0499 available by request