D702-0522 Screening compound: N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

D702-0522 Screening compound: N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide
D702-0522 Screening compound: N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0522
N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

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

D702-0522

Molecular Formula

C21H20FN3O3 (C21 H20 FN3 O3)

Compound Name

N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

IUPAC name

N-(4-ethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-26-dioxo-1236-tetrahydropyrimidin-1-yl}acetamide

SMILES

CCc(cc1)ccc1NC(CN(C(C=CN1Cc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C21H20FN3O3/c1-2-15-5-9-18(10-6-15)23-19(26)14-25-20(27)11-12-24(21(25)28)13-16-3-7-17(22)8-4-16/h3-12H,2,13-14H2,1H3,(H,23,26)

InChI Key

MEYPBMOWEWIATP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.26

Polar Surface Area

55.306

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with D702-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0522?
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What is the minimum amount of D702-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0522
  • 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 D702-0522 available by request