7597-5780 Screening compound: 5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid

7597-5780 Screening compound: 5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
7597-5780 Screening compound: 5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7597-5780
5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic 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

7597-5780

Molecular Formula

C17H14N2O3S (C17 H14 N2 O3 S)

Compound Name

5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid

IUPAC name

5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid

SMILES

Cc1nc(SCc2ccc(C(O)=O)o2)nc(-c2ccccc2)c1

InChI

InChI=1S/C17H14N2O3S/c1-11-9-14(12-5-3-2-4-6-12)19-17(18-11)23-10-13-7-8-15(22-13)16(20)21/h2-9H,10H2,1H3,(H,20,21)

InChI Key

BGDDHMHJHBCPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

-0.166

Water Solubility, LogSw

-3.82

Polar Surface Area

53.044

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

7597-5780 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 7597-5780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7597-5780?
Check Price and Availability of 7597-5780, 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 7597-5780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7597-5780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7597-5780
  • 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 7597-5780 available by request