D271-0670 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0670 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0670 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-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 D271-0670
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-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

D271-0670

Molecular Formula

C21H16ClF2N3O2S (C21 H16 ClF2 N3 O2 S)

Compound Name

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

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(25-difluorophenyl)-1-methyl-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CN(C(NC(C1)=O)=C2C1c(cc(cc1)F)c1F)C(SCc(cccc1)c1Cl)=NC2=O

InChI

InChI=1S/C21H16ClF2N3O2S/c1-27-19-18(14(9-17(28)25-19)13-8-12(23)6-7-16(13)24)20(29)26-21(27)30-10-11-4-2-3-5-15(11)22/h2-8,14H,9-10H2,1H3,(H,25,28)/t14-/m0/s1

InChI Key

NMJQBQKTHMMGHQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14816321

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

3.826

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.14

Polar Surface Area

50.082

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D271-0670 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D271-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0670?
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What is the minimum amount of D271-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0670
  • 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 D271-0670 available by request