V012-5503 Screening compound: ethyl 4-[4-(4-chloro-3-nitrobenzamido)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V012-5503 Screening compound: ethyl 4-[4-(4-chloro-3-nitrobenzamido)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V012-5503 Screening compound: ethyl 4-[4-(4-chloro-3-nitrobenzamido)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5503
ethyl 4-[4-(4-chloro-3-nitrobenzamido)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

V012-5503

Molecular Formula

C24H25ClN4O6 (C24 H25 ClN4 O6)

Compound Name

ethyl 4-[4-(4-chloro-3-nitrobenzamido)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-[4-(4-chloro-3-nitrobenzamido)phenyl]-6-methyl-2-oxo-1-propyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCN(C(C)=C(C(c(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C24H25ClN4O6/c1-4-12-28-14(3)20(23(31)35-5-2)21(27-24(28)32)15-6-9-17(10-7-15)26-22(30)16-8-11-18(25)19(13-16)29(33)34/h6-11,13,21H,4-5,12H2,1-3H3,(H,26,30)(H,27,32)/t21-/m0/s1

InChI Key

XEKGRKBWQXRION-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14240763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.67

Polar Surface Area

104.813

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V012-5503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5503?
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What is the minimum amount of V012-5503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5503
  • 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 V012-5503 available by request