V015-4196 Screening compound: 2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V015-4196 Screening compound: 2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V015-4196 Screening compound: 2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4196
2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V015-4196

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 4-(4-{[(3-cyanophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCN(C(C)=C(C(c(cc1)ccc1NC(Nc1cc(C#N)ccc1)=O)N1)C(OCC(C)C)=O)C1=O

InChI

InChI=1S/C27H31N5O4/c1-5-13-32-18(4)23(25(33)36-16-17(2)3)24(31-27(32)35)20-9-11-21(12-10-20)29-26(34)30-22-8-6-7-19(14-22)15-28/h6-12,14,17,24H,5,13,16H2,1-4H3,(H,31,35)(H2,29,30,34)/t24-/m1/s1

InChI Key

QYLSBFIAHNAZRN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14241266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.07

Polar Surface Area

98.376

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V015-4196 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-4196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4196?
Check Price and Availability of V015-4196, 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 V015-4196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4196
  • 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 V015-4196 available by request