V015-0313 Screening compound: METHYL 4-(4-{[(3-CHLOROANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

V015-0313 Screening compound: METHYL 4-(4-{[(3-CHLOROANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
V015-0313 Screening compound: METHYL 4-(4-{[(3-CHLOROANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0313
METHYL 4-(4-{[(3-CHLOROANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

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

V015-0313

Molecular Formula

C23H25ClN4O4 (C23 H25 ClN4 O4)

Compound Name

METHYL 4-(4-{[(3-CHLOROANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

IUPAC name

n/a

SMILES

CCCN(C(C)=C(C(c(cc1)ccc1NC(Nc1cccc(Cl)c1)=O)N1)C(OC)=O)C1=O

InChI

InChI=1S/C23H25ClN4O4/c1-4-12-28-14(2)19(21(29)32-3)20(27-23(28)31)15-8-10-17(11-9-15)25-22(30)26-18-7-5-6-16(24)13-18/h5-11,13,20H,4,12H2,1-3H3,(H,27,31)(H2,25,26,30)/t20-/m0/s1

InChI Key

OQXUWXQMFCZPFG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19719507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-5.06

Polar Surface Area

81.365

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V015-0313 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0313?
Check Price and Availability of V015-0313, 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 V015-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0313
  • 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 V015-0313 available by request