D694-0239 Screening compound: 1,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

D694-0239 Screening compound: 1,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
D694-0239 Screening compound: 1,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D694-0239
1,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

D694-0239

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

1,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

17-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-13-oxazol-4-yl]methyl}-5-(piperidine-1-carbonyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1c(CN(C(c2c(N3C)nc(C)cc2C(N2CCCCC2)=O)=O)C3=O)nc(-c2cccs2)o1

InChI

InChI=1S/C24H25N5O4S/c1-14-12-16(22(30)28-9-5-4-6-10-28)19-20(25-14)27(3)24(32)29(23(19)31)13-17-15(2)33-21(26-17)18-8-7-11-34-18/h7-8,11-12H,4-6,9-10,13H2,1-3H3

InChI Key

ROKKUUNJHBSAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.54

Polar Surface Area

76.798

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D694-0239 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)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D694-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D694-0239?
Check Price and Availability of D694-0239, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D694-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D694-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D694-0239
  • 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 D694-0239 available by request