C733-0036 Screening compound: 2-{3-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide

C733-0036 Screening compound: 2-{3-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide
C733-0036 Screening compound: 2-{3-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0036
2-{3-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)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

C733-0036

Molecular Formula

C22H16ClFN4O3 (C22 H16 ClFN4 O3)

Compound Name

2-{3-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide

IUPAC name

2-{3-benzyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide

SMILES

O=C(CN(c1ncccc1C(N1Cc2ccccc2)=O)C1=O)Nc(ccc(Cl)c1)c1F

InChI

InChI=1S/C22H16ClFN4O3/c23-15-8-9-18(17(24)11-15)26-19(29)13-27-20-16(7-4-10-25-20)21(30)28(22(27)31)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,26,29)

InChI Key

HXODREVVMYQTQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.50

Polar Surface Area

64.049

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C733-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0036
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0036
  • 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 C733-0036 available by request