E565-0007 Screening compound: 1-[3-(PHENYLSULFONYL)THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDIN-5-YL]-4-PIPERIDINECARBOXAMIDE

E565-0007 Screening compound: 1-[3-(PHENYLSULFONYL)THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDIN-5-YL]-4-PIPERIDINECARBOXAMIDE
E565-0007 Screening compound: 1-[3-(PHENYLSULFONYL)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 E565-0007
1-[3-(PHENYLSULFONYL)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

E565-0007

Molecular Formula

C19H18N6O3S2 (C19 H18 N6 O3 S2)

Compound Name

1-[3-(PHENYLSULFONYL)THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDIN-5-YL]-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

NC(C(CC1)CCN1c(c(scc1)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C19H18N6O3S2/c20-16(26)12-6-9-24(10-7-12)17-15-14(8-11-29-15)25-18(21-17)19(22-23-25)30(27,28)13-4-2-1-3-5-13/h1-5,8,11-12H,6-7,9-10H2,(H2,20,26)

InChI Key

VFXFCGIBMAUYDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

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

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.60

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

6.00

E565-0007 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with E565-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0007?
Check Price and Availability of E565-0007, 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 E565-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0007
  • 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 E565-0007 available by request