D271-0620 Screening compound: 5-(3,5-difluorophenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0620 Screening compound: 5-(3,5-difluorophenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0620 Screening compound: 5-(3,5-difluorophenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0620
5-(3,5-difluorophenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-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

D271-0620

Molecular Formula

C22H19F2N3O2S (C22 H19 F2 N3 O2 S)

Compound Name

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

IUPAC name

5-(35-difluorophenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

Cc1ccc(CSC(N(C)C(NC(C2)=O)=C3C2c2cc(F)cc(F)c2)=NC3=O)cc1

InChI

InChI=1S/C22H19F2N3O2S/c1-12-3-5-13(6-4-12)11-30-22-26-21(29)19-17(10-18(28)25-20(19)27(22)2)14-7-15(23)9-16(24)8-14/h3-9,17H,10-11H2,1-2H3,(H,25,28)/t17-/m0/s1

InChI Key

BCLKLSUXCAPOEZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14816277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.47

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

3.167

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.23

Polar Surface Area

50.082

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D271-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0620?
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What is the minimum amount of D271-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0620
  • 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 D271-0620 available by request