D271-0137 Screening compound: 5-(5-bromo-2-methoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0137 Screening compound: 5-(5-bromo-2-methoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0137 Screening compound: 5-(5-bromo-2-methoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0137
5-(5-bromo-2-methoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-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

D271-0137

Molecular Formula

C21H17BrFN3O3S (C21 H17 BrFN3 O3 S)

Compound Name

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

IUPAC name

5-(5-bromo-2-methoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

COc(cc1)c(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCc(cc2)ccc2F)cc1Br

InChI

InChI=1S/C21H17BrFN3O3S/c1-29-16-7-4-12(22)8-14(16)15-9-17(27)24-19-18(15)20(28)26-21(25-19)30-10-11-2-5-13(23)6-3-11/h2-8,15H,9-10H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1

InChI Key

UORVDARJPUTTQS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26967515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.52

Polar Surface Area

65.499

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with D271-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0137?
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What is the minimum amount of D271-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0137
  • 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 D271-0137 available by request