Y021-2234 Screening compound: N-[5-(3-nitrophenyl)-4,7-dioxo-2-piperidino-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]benzamide

Y021-2234 Screening compound: N-[5-(3-nitrophenyl)-4,7-dioxo-2-piperidino-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]benzamide
Y021-2234 Screening compound: N-[5-(3-nitrophenyl)-4,7-dioxo-2-piperidino-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2234
N-[5-(3-nitrophenyl)-4,7-dioxo-2-piperidino-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]benzamide

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

Y021-2234

Molecular Formula

C25H24N6O5 (C25 H24 N6 O5)

Compound Name

N-[5-(3-nitrophenyl)-4,7-dioxo-2-piperidino-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]benzamide

IUPAC name

N-[5-(3-nitrophenyl)-47-dioxo-2-(piperidin-1-yl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidin-6-yl]benzamide

SMILES

[O-][N+](c1cc(C(C(C(N2)=O)NC(c3ccccc3)=O)C(C(N3)=O)=C2N=C3N2CCCCC2)ccc1)=O

InChI

InChI=1S/C25H24N6O5/c32-22(15-8-3-1-4-9-15)26-20-18(16-10-7-11-17(14-16)31(35)36)19-21(27-24(20)34)28-25(29-23(19)33)30-12-5-2-6-13-30/h1,3-4,7-11,14,18,20H,2,5-6,12-13H2,(H,26,32)(H2,27,28,29,33,34)

InChI Key

NHXGJEGJEIZAEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-3.05

Polar Surface Area

119.489

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

Y021-2234 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 Y021-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2234?
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What is the minimum amount of Y021-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2234
  • 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 Y021-2234 available by request