D694-0258 Screening compound: 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

D694-0258 Screening compound: 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
D694-0258 Screening compound: 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D694-0258
2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]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

D694-0258

Molecular Formula

C25H29N5O5 (C25 H29 N5 O5)

Compound Name

2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[17-dimethyl-24-dioxo-5-(piperidine-1-carbonyl)-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

Cc(cc1C(N2CCCCC2)=O)nc(N(C)C(N2CC(NCc(cc3)ccc3OC)=O)=O)c1C2=O

InChI

InChI=1S/C25H29N5O5/c1-16-13-19(23(32)29-11-5-4-6-12-29)21-22(27-16)28(2)25(34)30(24(21)33)15-20(31)26-14-17-7-9-18(35-3)10-8-17/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,26,31)

InChI Key

MEVIXWKNFYOTHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-3.02

Polar Surface Area

89.673

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D694-0258 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D694-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D694-0258?
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What is the minimum amount of D694-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D694-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D694-0258
  • 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 D694-0258 available by request