C561-2821 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

C561-2821 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide
C561-2821 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2821
N-[2-(4-chlorophenyl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

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

C561-2821

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamide

SMILES

Cc(c(CCC(NCCc(cc1)ccc1Cl)=O)c(C)nc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H25ClN4O3/c1-13-17(9-10-18(28)24-12-11-15-5-7-16(23)8-6-15)14(2)25-20-19(13)21(29)27(4)22(30)26(20)3/h5-8H,9-12H2,1-4H3,(H,24,28)

InChI Key

MNTZESOVYHIKTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

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

3.045

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.90

Polar Surface Area

65.858

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C561-2821 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 C561-2821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2821
  • 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 C561-2821 available by request