V013-0720 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V013-0720 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V013-0720 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0720
ethyl 6-[(3-chlorophenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-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

V013-0720

Molecular Formula

C23H25ClN2O6 (C23 H25 ClN2 O6)

Compound Name

ethyl 6-[(3-chlorophenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(3-chlorophenoxy)methyl]-4-(25-dimethoxyphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1)=C(COc2cccc(Cl)c2)N(C)C1=O)=O

InChI

InChI=1S/C23H25ClN2O6/c1-5-31-22(27)20-18(13-32-16-8-6-7-14(24)11-16)26(2)23(28)25-21(20)17-12-15(29-3)9-10-19(17)30-4/h6-12,21H,5,13H2,1-4H3,(H,25,28)/t21-/m1/s1

InChI Key

IZWIIPZZRWVMOO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19832674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.59

Polar Surface Area

71.192

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V013-0720 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0720?
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What is the minimum amount of V013-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0720
  • 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 V013-0720 available by request