D323-0218 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide

D323-0218 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide
D323-0218 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0218
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-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

D323-0218

Molecular Formula

C18H12BrN3O2S (C18 H12 BrN3 O2 S)

Compound Name

N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[3-(4-bromophenyl)-124-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2nc(-c(cc3)ccc3Br)ns2)=O)oc2c1cccc2

InChI

InChI=1S/C18H12BrN3O2S/c1-10-13-4-2-3-5-14(13)24-15(10)17(23)21-18-20-16(22-25-18)11-6-8-12(19)9-7-11/h2-9H,1H3,(H,20,21,22,23)

InChI Key

MARZFUWOGFZICO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.80

Polar Surface Area

52.443

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D323-0218 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D323-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0218?
Check Price and Availability of D323-0218, 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 D323-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0218
  • 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 D323-0218 available by request