V006-0491 Screening compound: (2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one

V006-0491 Screening compound: (2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one
V006-0491 Screening compound: (2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0491
(2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one

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

V006-0491

Molecular Formula

C29H25ClN4O2 (C29 H25 ClN4 O2)

Compound Name

(2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one

IUPAC name

(2E)-3-(2-chlorophenyl)-1-{4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl}prop-2-en-1-one

SMILES

O=C(/C=C/c(cccc1)c1Cl)N(CC1)CCN1c1nc(-c(cc2)ccc2Oc2ccccc2)ccn1

InChI

InChI=1S/C29H25ClN4O2/c30-26-9-5-4-6-22(26)12-15-28(35)33-18-20-34(21-19-33)29-31-17-16-27(32-29)23-10-13-25(14-11-23)36-24-7-2-1-3-8-24/h1-17H,18-21H2

InChI Key

XPQCYLOWQSSHTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.722

Distribution Coefficient, logD

6.722

Water Solubility, LogSw

-6.35

Polar Surface Area

44.026

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

V006-0491 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0491?
Check Price and Availability of V006-0491, 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 V006-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0491
  • 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 V006-0491 available by request