V031-0693 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine

V031-0693 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine
V031-0693 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0693
1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine

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

V031-0693

Molecular Formula

C22H17ClF3N7O (C22 H17 ClF3 N7 O)

Compound Name

1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine

IUPAC name

1-(6-chloropyridine-3-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[124]triazolo[15-a]pyrimidin-2-yl}piperazine

SMILES

O=C(c(cc1)cnc1Cl)N(CC1)CCN1c1nn2c(-c3cc(C(F)(F)F)ccc3)ccnc2n1

InChI

InChI=1S/C22H17ClF3N7O/c23-18-5-4-15(13-28-18)19(34)31-8-10-32(11-9-31)21-29-20-27-7-6-17(33(20)30-21)14-2-1-3-16(12-14)22(24,25)26/h1-7,12-13H,8-11H2

InChI Key

GLPMCPLQAPEYEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955151

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.53

Polar Surface Area

58.053

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V031-0693 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V031-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0693?
Check Price and Availability of V031-0693, 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 V031-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0693
  • 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 V031-0693 available by request