D112-0057 Screening compound: 6-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

D112-0057 Screening compound: 6-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
D112-0057 Screening compound: 6-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0057
6-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-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

D112-0057

Molecular Formula

C14H11FN2O3S (C14 H11 FN2 O3 S)

Compound Name

6-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

IUPAC name

n/a

SMILES

OC(c(cc1)cnc1SCC(Nc(cccc1)c1F)=O)=O

InChI

InChI=1S/C14H11FN2O3S/c15-10-3-1-2-4-11(10)17-12(18)8-21-13-6-5-9(7-16-13)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)

InChI Key

WLAVCXXQHLKQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

-0.611

Water Solubility, LogSw

-2.62

Polar Surface Area

59.325

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D112-0057 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D112-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0057?
Check Price and Availability of D112-0057, 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 D112-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0057
  • 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 D112-0057 available by request