D276-0061 Screening compound: 4,6-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

D276-0061 Screening compound: 4,6-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide
D276-0061 Screening compound: 4,6-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0061
4,6-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

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

D276-0061

Molecular Formula

C24H25N3O2S (C24 H25 N3 O2 S)

Compound Name

4,6-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

IUPAC name

46-dimethyl-N-phenyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

SMILES

Cc1c(C(Nc2ccccc2)=O)c(SCC(NCCc2ccccc2)=O)nc(C)c1

InChI

InChI=1S/C24H25N3O2S/c1-17-15-18(2)26-24(22(17)23(29)27-20-11-7-4-8-12-20)30-16-21(28)25-14-13-19-9-5-3-6-10-19/h3-12,15H,13-14,16H2,1-2H3,(H,25,28)(H,27,29)

InChI Key

VXIHZVNQJJPETR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-4.16

Polar Surface Area

55.925

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D276-0061 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D276-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0061?
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What is the minimum amount of D276-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0061
  • 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 D276-0061 available by request