V012-7333 Screening compound: 2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V012-7333 Screening compound: 2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V012-7333 Screening compound: 2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7333
2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-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

V012-7333

Molecular Formula

C33H45N3O4 (C33 H45 N3 O4)

Compound Name

2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCCCc(cc1)ccc1C(Nc1cccc(C(C(C(OCC(C)C)=O)=C(C)N2CCCC)NC2=O)c1)=O

InChI

InChI=1S/C33H45N3O4/c1-6-8-10-11-13-25-16-18-26(19-17-25)31(37)34-28-15-12-14-27(21-28)30-29(32(38)40-22-23(3)4)24(5)36(20-9-7-2)33(39)35-30/h12,14-19,21,23,30H,6-11,13,20,22H2,1-5H3,(H,34,37)(H,35,39)/t30-/m1/s1

InChI Key

BMNONUSPOXGRSJ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14240013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.360

Distribution Coefficient, logD

8.358

Water Solubility, LogSw

-5.61

Polar Surface Area

72.108

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.50

References: we are preparing a list of scientific research reports with V012-7333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7333?
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What is the minimum amount of V012-7333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7333
  • 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 V012-7333 available by request