D335-2945 Screening compound: 5-bromo-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

D335-2945 Screening compound: 5-bromo-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
D335-2945 Screening compound: 5-bromo-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-2945
5-bromo-3-methyl-N-[2-(2-methyl-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

D335-2945

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NCCc2csc(C)n2)=O)oc(cc2)c1cc2Br

InChI

InChI=1S/C16H15BrN2O2S/c1-9-13-7-11(17)3-4-14(13)21-15(9)16(20)18-6-5-12-8-22-10(2)19-12/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)

InChI Key

DOEKECMDUAUMHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.19

Polar Surface Area

43.326

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D335-2945 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D335-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-2945?
Check Price and Availability of D335-2945, 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 D335-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-2945
  • 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 D335-2945 available by request