D112-0172 Screening compound: 6-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

D112-0172 Screening compound: 6-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
D112-0172 Screening compound: 6-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0172
6-({[(2,4,6-trimethylphenyl)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

D112-0172

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

6-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

IUPAC name

6-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

SMILES

Cc(cc1C)cc(C)c1NC(CSc(cc1)ncc1C(O)=O)=O

InChI

InChI=1S/C17H18N2O3S/c1-10-6-11(2)16(12(3)7-10)19-14(20)9-23-15-5-4-13(8-18-15)17(21)22/h4-8H,9H2,1-3H3,(H,19,20)(H,21,22)

InChI Key

DVHGWXFYASUHRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

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

2.997

Distribution Coefficient, logD

0.122

Water Solubility, LogSw

-2.86

Polar Surface Area

58.627

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D112-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0172?
Check Price and Availability of D112-0172, 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 D112-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0172
  • 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 D112-0172 available by request