V013-9882 Screening compound: ethyl 6-[(2,4-difluorophenoxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V013-9882 Screening compound: ethyl 6-[(2,4-difluorophenoxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V013-9882 Screening compound: ethyl 6-[(2,4-difluorophenoxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9882
ethyl 6-[(2,4-difluorophenoxy)methyl]-4-(4-methoxyphenyl)-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

V013-9882

Molecular Formula

C22H22F2N2O5 (C22 H22 F2 N2 O5)

Compound Name

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

IUPAC name

ethyl 6-[(24-difluorophenoxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1)=C(COc(ccc(F)c2)c2F)N(C)C1=O)=O

InChI

InChI=1S/C22H22F2N2O5/c1-4-30-21(27)19-17(12-31-18-10-7-14(23)11-16(18)24)26(2)22(28)25-20(19)13-5-8-15(29-3)9-6-13/h5-11,20H,4,12H2,1-3H3,(H,25,28)/t20-/m1/s1

InChI Key

HSKBYUSWINSGOE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19834201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.67

Polar Surface Area

63.648

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V013-9882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9882?
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What is the minimum amount of V013-9882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9882
  • 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 V013-9882 available by request