C733-0070 Screening compound: N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide

C733-0070 Screening compound: N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide
C733-0070 Screening compound: N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0070
N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-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

C733-0070

Molecular Formula

C25H24N4O4 (C25 H24 N4 O4)

Compound Name

N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide

IUPAC name

N-(2-ethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-1-yl}acetamide

SMILES

CCOc(cccc1)c1NC(CN(c(nccc1)c1C(N1Cc2ccc(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C25H24N4O4/c1-3-33-21-9-5-4-8-20(21)27-22(30)16-28-23-19(7-6-14-26-23)24(31)29(25(28)32)15-18-12-10-17(2)11-13-18/h4-14H,3,15-16H2,1-2H3,(H,27,30)

InChI Key

RRBBOFGRVQVBOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.08

Polar Surface Area

71.259

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C733-0070 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 C733-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0070?
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What is the minimum amount of C733-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0070
  • 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 C733-0070 available by request