E565-0616 Screening compound: 1-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-4-piperidinecarboxamide

E565-0616 Screening compound: 1-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-4-piperidinecarboxamide
E565-0616 Screening compound: 1-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0616
1-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-4-piperidinecarboxamide

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

E565-0616

Molecular Formula

C21H22N6O3S2 (C21 H22 N6 O3 S2)

Compound Name

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

IUPAC name

1-[10-(25-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-yl]piperidine-4-carboxamide

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4N(CC2)CCC2C(N)=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H22N6O3S2/c1-12-3-4-13(2)16(11-12)32(29,30)21-20-23-19(26-8-5-14(6-9-26)18(22)28)17-15(7-10-31-17)27(20)25-24-21/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H2,22,28)

InChI Key

DUVWPQVFSIONCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-2.97

Polar Surface Area

100.205

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E565-0616 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 E565-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0616?
Check Price and Availability of E565-0616, 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 E565-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0616
  • 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 E565-0616 available by request