V016-8242 Screening compound: 2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

V016-8242 Screening compound: 2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
V016-8242 Screening compound: 2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8242
2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

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

V016-8242

Molecular Formula

C26H29ClFN5O3S (C26 H29 ClFN5 O3 S)

Compound Name

2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-({4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CSc1nc(N(CC2)CCN2c(cccc2)c2F)cc(Cl)n1)=O)c1)c1OC

InChI

InChI=1S/C26H29ClFN5O3S/c1-35-21-8-7-18(15-22(21)36-2)9-10-29-25(34)17-37-26-30-23(27)16-24(31-26)33-13-11-32(12-14-33)20-6-4-3-5-19(20)28/h3-8,15-16H,9-14,17H2,1-2H3,(H,29,34)

InChI Key

JFOKREONJVRXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19727383

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.52

Polar Surface Area

62.576

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V016-8242 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-8242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8242?
Check Price and Availability of V016-8242, 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 V016-8242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8242
  • 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 V016-8242 available by request