V006-5036 Screening compound: 2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine

V006-5036 Screening compound: 2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
V006-5036 Screening compound: 2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5036
2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine

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

V006-5036

Molecular Formula

C21H17ClF4N4O2S (C21 H17 ClF4 N4 O2 S)

Compound Name

2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine

IUPAC name

2-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine

SMILES

O=S(c(cc1)cc(Cl)c1F)(N(CC1)CCN1c1nc(-c2cc(C(F)(F)F)ccc2)ccn1)=O

InChI

InChI=1S/C21H17ClF4N4O2S/c22-17-13-16(4-5-18(17)23)33(31,32)30-10-8-29(9-11-30)20-27-7-6-19(28-20)14-2-1-3-15(12-14)21(24,25)26/h1-7,12-13H,8-11H2

InChI Key

HXMLYMFGKPJRNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943707

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-6.00

Polar Surface Area

52.868

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V006-5036 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V006-5036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5036?
Check Price and Availability of V006-5036, 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 V006-5036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5036
  • 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 V006-5036 available by request