V005-2713 Screening compound: 1-(4-{2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

V005-2713 Screening compound: 1-(4-{2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one
V005-2713 Screening compound: 1-(4-{2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2713
1-(4-{2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-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

V005-2713

Molecular Formula

C27H38N4O (C27 H38 N4 O)

Compound Name

1-(4-{2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

IUPAC name

1-(4-{2-cyclopropyl-5-[(25-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

SMILES

CCc1c(Cc2c(C)ccc(C)c2)c(N(CC2)CCN2C(CC(C)C)=O)nc(C2CC2)n1

InChI

InChI=1S/C27H38N4O/c1-6-24-23(17-22-16-19(4)7-8-20(22)5)27(29-26(28-24)21-9-10-21)31-13-11-30(12-14-31)25(32)15-18(2)3/h7-8,16,18,21H,6,9-15,17H2,1-5H3

InChI Key

HXFVXNPPMKYBGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782928

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.670

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-5.52

Polar Surface Area

39.641

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

V005-2713 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-2713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2713?
Check Price and Availability of V005-2713, 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 V005-2713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2713
  • 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 V005-2713 available by request