D702-0235 Screening compound: N-(4-methoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

D702-0235 Screening compound: N-(4-methoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide
D702-0235 Screening compound: N-(4-methoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0235
N-(4-methoxyphenyl)-2-{3-[(4-methylphenyl)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

D702-0235

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C=CC(N2CC(Nc(cc3)ccc3OC)=O)=O)C2=O)cc1

InChI

InChI=1S/C21H21N3O4/c1-15-3-5-16(6-4-15)13-23-12-11-20(26)24(21(23)27)14-19(25)22-17-7-9-18(28-2)10-8-17/h3-12H,13-14H2,1-2H3,(H,22,25)

InChI Key

UGUVFBRROBZMHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.90

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D702-0235 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D702-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0235?
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What is the minimum amount of D702-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0235
  • 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 D702-0235 available by request