V014-5902 Screening compound: METHYL 4-(4-{[(2-BROMOANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

V014-5902 Screening compound: METHYL 4-(4-{[(2-BROMOANILINO)CARBONYL]AMINO}PHENYL)-6-METHYL-2-OXO-1-PROPYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
V014-5902 Screening compound: METHYL 4-(4-{[(2-BROMOANILINO)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 V014-5902
METHYL 4-(4-{[(2-BROMOANILINO)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

V014-5902

Molecular Formula

C23H25BrN4O4 (C23 H25 BrN4 O4)

Compound Name

METHYL 4-(4-{[(2-BROMOANILINO)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(Nc(cccc1)c1Br)=O)N1)C(OC)=O)C1=O

InChI

InChI=1S/C23H25BrN4O4/c1-4-13-28-14(2)19(21(29)32-3)20(27-23(28)31)15-9-11-16(12-10-15)25-22(30)26-18-8-6-5-7-17(18)24/h5-12,20H,4,13H2,1-3H3,(H,27,31)(H2,25,26,30)/t20-/m0/s1

InChI Key

ZXHWSYYWSUPNSK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14241334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.38

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

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.18

Polar Surface Area

80.667

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V014-5902 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-5902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5902?
Check Price and Availability of V014-5902, 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 V014-5902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5902
  • 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 V014-5902 available by request