D319-0395 Screening compound: N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

D319-0395 Screening compound: N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
D319-0395 Screening compound: N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0395
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-methyl-1,2,3-thiadiazole-5-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

D319-0395

Molecular Formula

C20H14BrN3O4S (C20 H14 BrN3 O4 S)

Compound Name

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

IUPAC name

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc2c(C(c(cc3)cc(Br)c3OC)=O)oc3c2cccc3)=O)snn1

InChI

InChI=1S/C20H14BrN3O4S/c1-10-19(29-24-23-10)20(26)22-16-12-5-3-4-6-14(12)28-18(16)17(25)11-7-8-15(27-2)13(21)9-11/h3-9H,1-2H3,(H,22,26)

InChI Key

PMFJESAUCUTPAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.39

Polar Surface Area

74.001

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D319-0395 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D319-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0395?
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What is the minimum amount of D319-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0395
  • 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 D319-0395 available by request