E565-0994 Screening compound: 3-[(4-isopropylphenyl)sulfonyl]-5-(1,4-thiazinan-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

E565-0994 Screening compound: 3-[(4-isopropylphenyl)sulfonyl]-5-(1,4-thiazinan-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
E565-0994 Screening compound: 3-[(4-isopropylphenyl)sulfonyl]-5-(1,4-thiazinan-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0994
3-[(4-isopropylphenyl)sulfonyl]-5-(1,4-thiazinan-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

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

E565-0994

Molecular Formula

C20H21N5O2S3 (C20 H21 N5 O2 S3)

Compound Name

3-[(4-isopropylphenyl)sulfonyl]-5-(1,4-thiazinan-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

IUPAC name

10-[4-(propan-2-yl)benzenesulfonyl]-7-(thiomorpholin-4-yl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CC(C)c(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3N1CCSCC1)(=O)=O

InChI

InChI=1S/C20H21N5O2S3/c1-13(2)14-3-5-15(6-4-14)30(26,27)20-19-21-18(24-8-11-28-12-9-24)17-16(7-10-29-17)25(19)23-22-20/h3-7,10,13H,8-9,11-12H2,1-2H3

InChI Key

AKTOTMIOWLFRED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22390801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-4.58

Polar Surface Area

66.146

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E565-0994 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 E565-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0994?
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What is the minimum amount of E565-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0994
  • 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 E565-0994 available by request