D506-0259 Screening compound: 3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid

D506-0259 Screening compound: 3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid
D506-0259 Screening compound: 3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D506-0259
3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid

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

D506-0259

Molecular Formula

C25H18FN3O3S2 (C25 H18 FN3 O3 S2)

Compound Name

3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid

IUPAC name

3-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-amido)benzoic acid

SMILES

OC(c1cccc(NC(c(nc(nc2)SCc(cccc3)c3F)c2Sc2ccccc2)=O)c1)=O

InChI

InChI=1S/C25H18FN3O3S2/c26-20-12-5-4-7-17(20)15-33-25-27-14-21(34-19-10-2-1-3-11-19)22(29-25)23(30)28-18-9-6-8-16(13-18)24(31)32/h1-14H,15H2,(H,28,30)(H,31,32)

InChI Key

JSGUEGYSDZBXGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.554

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-5.81

Polar Surface Area

69.780

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

D506-0259 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D506-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D506-0259?
Check Price and Availability of D506-0259, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D506-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D506-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D506-0259
  • 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 D506-0259 available by request