V018-9032 Screening compound: (2E)-1-(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-2-en-1-one

V018-9032 Screening compound: (2E)-1-(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-2-en-1-one
V018-9032 Screening compound: (2E)-1-(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9032
(2E)-1-(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-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

V018-9032

Molecular Formula

C27H30N4O (C27 H30 N4 O)

Compound Name

(2E)-1-(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-2-en-1-one

IUPAC name

(2E)-1-(4-{26-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenylprop-2-en-1-one

SMILES

Cc1cccc(Cc2c(C)nc(C)nc2N(CC2)CCN2C(/C=C/c2ccccc2)=O)c1

InChI

InChI=1S/C27H30N4O/c1-20-8-7-11-24(18-20)19-25-21(2)28-22(3)29-27(25)31-16-14-30(15-17-31)26(32)13-12-23-9-5-4-6-10-23/h4-13,18H,14-17,19H2,1-3H3

InChI Key

GSKJPMJYFOOXHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850449

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.48

Polar Surface Area

38.042

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V018-9032 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 V018-9032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9032?
Check Price and Availability of V018-9032, 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 V018-9032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9032
  • 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 V018-9032 available by request