Y020-3542 Screening compound: N-(3,5-dichlorophenyl)-4,7-dioxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

Y020-3542 Screening compound: N-(3,5-dichlorophenyl)-4,7-dioxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
Y020-3542 Screening compound: N-(3,5-dichlorophenyl)-4,7-dioxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3542
N-(3,5-dichlorophenyl)-4,7-dioxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

Y020-3542

Molecular Formula

C23H19Cl2N5O3 (C23 H19 Cl2 N5 O3)

Compound Name

N-(3,5-dichlorophenyl)-4,7-dioxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(35-dichlorophenyl)-47-dioxo-2-(1234-tetrahydroisoquinolin-2-yl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

O=C(C(CC(N1)=O)C(C(N2)=O)=C1N=C2N(CC1)Cc2c1cccc2)Nc1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C23H19Cl2N5O3/c24-14-7-15(25)9-16(8-14)26-21(32)17-10-18(31)27-20-19(17)22(33)29-23(28-20)30-6-5-12-3-1-2-4-13(12)11-30/h1-4,7-9,17H,5-6,10-11H2,(H,26,32)(H2,27,28,29,31,33)/t17-/m1/s1

InChI Key

VKICEQPOWJKXCS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD11083332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.69

Polar Surface Area

84.349

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with Y020-3542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3542?
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What is the minimum amount of Y020-3542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3542
  • 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 Y020-3542 available by request