V012-9654 Screening compound: 1-(thiophene-2-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine

V012-9654 Screening compound: 1-(thiophene-2-carbonyl)-4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine
V012-9654 Screening compound: 1-(thiophene-2-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 V012-9654
1-(thiophene-2-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

V012-9654

Molecular Formula

C21H17F3N6OS (C21 H17 F3 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)N(CC1)CCN1c1nn2c(-c3cc(C(F)(F)F)ccc3)ccnc2n1

InChI

InChI=1S/C21H17F3N6OS/c22-21(23,24)15-4-1-3-14(13-15)16-6-7-25-19-26-20(27-30(16)19)29-10-8-28(9-11-29)18(31)17-5-2-12-32-17/h1-7,12-13H,8-11H2

InChI Key

WDQPBWDEBGTXAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955019

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.19

Polar Surface Area

50.067

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V012-9654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9654?
Check Price and Availability of V012-9654, 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 V012-9654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9654
  • 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 V012-9654 available by request