D271-0065 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0065 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0065 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0065
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxyphenyl)-3H,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

D271-0065

Molecular Formula

C20H16ClN3O3S (C20 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxyphenyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

Oc1cccc(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCc(cccc2)c2Cl)c1

InChI

InChI=1S/C20H16ClN3O3S/c21-15-7-2-1-4-12(15)10-28-20-23-18-17(19(27)24-20)14(9-16(26)22-18)11-5-3-6-13(25)8-11/h1-8,14,25H,9-10H2,(H2,22,23,24,26,27)/t14-/m1/s1

InChI Key

PAIDQWDPARGWEK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD26967471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.12

Polar Surface Area

75.485

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D271-0065 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D271-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0065?
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What is the minimum amount of D271-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0065
  • 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 D271-0065 available by request