V014-2587 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-6-[(2-fluorophenoxy)methyl]-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V014-2587 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-6-[(2-fluorophenoxy)methyl]-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V014-2587 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-6-[(2-fluorophenoxy)methyl]-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2587
ethyl 4-(2,5-dimethoxyphenyl)-6-[(2-fluorophenoxy)methyl]-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

V014-2587

Molecular Formula

C23H25FN2O6 (C23 H25 FN2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1)=C(COc(cccc2)c2F)N(C)C1=O)=O

InChI

InChI=1S/C23H25FN2O6/c1-5-31-22(27)20-17(13-32-19-9-7-6-8-16(19)24)26(2)23(28)25-21(20)15-12-14(29-3)10-11-18(15)30-4/h6-12,21H,5,13H2,1-4H3,(H,25,28)/t21-/m1/s1

InChI Key

WUIHOFMADSKNLC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19840414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

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

3.693

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.02

Polar Surface Area

71.278

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V014-2587 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 V014-2587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2587?
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What is the minimum amount of V014-2587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2587
  • 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 V014-2587 available by request