D702-0558 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

D702-0558 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
D702-0558 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0558
1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D702-0558

Molecular Formula

C24H25FN4O4 (C24 H25 FN4 O4)

Compound Name

1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

1-[(4-fluorophenyl)methyl]-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1234-tetrahydropyrimidine-24-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(C(C=CN1Cc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C24H25FN4O4/c1-33-21-5-3-2-4-20(21)26-12-14-27(15-13-26)23(31)17-29-22(30)10-11-28(24(29)32)16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3

InChI Key

MLMBTWXXLFNYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.553

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.96

Polar Surface Area

59.138

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D702-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0558?
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What is the minimum amount of D702-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0558
  • 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 D702-0558 available by request