D271-0653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0653
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-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

D271-0653

Molecular Formula

C21H16ClF2N3O2S (C21 H16 ClF2 N3 O2 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(24-difluorophenyl)-1-methyl-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CN(C(NC(C1)=O)=C2C1c(ccc(F)c1)c1F)C(SCc(cc1)ccc1Cl)=NC2=O

InChI

InChI=1S/C21H16ClF2N3O2S/c1-27-19-18(15(9-17(28)25-19)14-7-6-13(23)8-16(14)24)20(29)26-21(27)30-10-11-2-4-12(22)5-3-11/h2-8,15H,9-10H2,1H3,(H,25,28)/t15-/m0/s1

InChI Key

KAWFPMKKSNCSOK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14816306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.94

Polar Surface Area

50.082

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D271-0653 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D271-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0653?
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What is the minimum amount of D271-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0653
  • 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 D271-0653 available by request