Y021-2037 Screening compound: 2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl cyanide

Y021-2037 Screening compound: 2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl cyanide
Y021-2037 Screening compound: 2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2037
2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl cyanide

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

Y021-2037

Molecular Formula

C21H17N5O3 (C21 H17 N5 O3)

Compound Name

2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl cyanide

IUPAC name

2-[(4-methoxyphenyl)amino]-47-dioxo-5-phenyl-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-6-carbonitrile

SMILES

COc(cc1)ccc1NC(N1)=NC(NC(C(C2c3ccccc3)C#N)=O)=C2C1=O

InChI

InChI=1S/C21H17N5O3/c1-29-14-9-7-13(8-10-14)23-21-25-18-17(20(28)26-21)16(12-5-3-2-4-6-12)15(11-22)19(27)24-18/h2-10,15-16H,1H3,(H3,23,24,25,26,27,28)

InChI Key

KGFZQAXZKULVJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11082672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.44

Polar Surface Area

92.582

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y021-2037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2037?
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What is the minimum amount of Y021-2037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2037
  • 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 Y021-2037 available by request