V013-1891 Screening compound: propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V013-1891 Screening compound: propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V013-1891 Screening compound: propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1891
propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-1,6-dimethyl-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

V013-1891

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-[3-(3-methoxybenzamido)phenyl]-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c1cc(NC(c2cc(OC)ccc2)=O)ccc1)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C24H27N3O5/c1-14(2)32-23(29)20-15(3)27(4)24(30)26-21(20)16-8-6-10-18(12-16)25-22(28)17-9-7-11-19(13-17)31-5/h6-14,21H,1-5H3,(H,25,28)(H,26,30)/t21-/m1/s1

InChI Key

MGVAXJLXVIZHFI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19719908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.80

Polar Surface Area

78.743

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

V013-1891 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1891?
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What is the minimum amount of V013-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1891
  • 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 V013-1891 available by request