E565-0635 Screening compound: N-butyl-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0635 Screening compound: N-butyl-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0635 Screening compound: N-butyl-N-{3-[(2,5-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 E565-0635
N-butyl-N-{3-[(2,5-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

E565-0635

Molecular Formula

C19H21N5O2S2 (C19 H21 N5 O2 S2)

Compound Name

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

IUPAC name

N-butyl-10-(25-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CCCCNc(c(scc1)c1n1nn2)nc1c2S(c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C19H21N5O2S2/c1-4-5-9-20-17-16-14(8-10-27-16)24-18(21-17)19(22-23-24)28(25,26)15-11-12(2)6-7-13(15)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)

InChI Key

BISAXLPHZWVOJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-4.55

Polar Surface Area

73.748

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E565-0635 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0635?
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What is the minimum amount of E565-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0635
  • 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 E565-0635 available by request