D335-3049 Screening compound: 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

D335-3049 Screening compound: 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
D335-3049 Screening compound: 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-3049
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-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

D335-3049

Molecular Formula

C21H18N2O2S (C21 H18 N2 O2 S)

Compound Name

3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-N-[2-(2-phenyl-13-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCCc2csc(-c3ccccc3)n2)=O)oc2c1cccc2

InChI

InChI=1S/C21H18N2O2S/c1-14-17-9-5-6-10-18(17)25-19(14)20(24)22-12-11-16-13-26-21(23-16)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,24)

InChI Key

KYJZTQFBCRAECG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.82

Polar Surface Area

43.248

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D335-3049 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GPCR Targeted Library (31838 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D335-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-3049?
Check Price and Availability of D335-3049, 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 D335-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-3049
  • 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 D335-3049 available by request