E565-0812 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-cyclopentylamine

E565-0812 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-cyclopentylamine
E565-0812 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-cyclopentylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0812
N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-cyclopentylamine

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

E565-0812

Molecular Formula

C18H16BrN5O2S2 (C18 H16 BrN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(nnn1c2c3scc2)c1nc3NC1CCCC1)(c(cc1)ccc1Br)=O

InChI

InChI=1S/C18H16BrN5O2S2/c19-11-5-7-13(8-6-11)28(25,26)18-17-21-16(20-12-3-1-2-4-12)15-14(9-10-27-15)24(17)23-22-18/h5-10,12H,1-4H2,(H,20,21)

InChI Key

CBTZCNBDNPNQFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.39

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

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.89

Polar Surface Area

73.727

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E565-0812 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E565-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0812?
Check Price and Availability of E565-0812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E565-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0812
  • 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 E565-0812 available by request