D381-0190 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide

D381-0190 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide
D381-0190 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0190
5-bromo-N-[3-(3,4-dimethoxyphenyl)-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

D381-0190

Molecular Formula

C20H16BrN3O4S (C20 H16 BrN3 O4 S)

Compound Name

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

IUPAC name

5-bromo-N-[3-(34-dimethoxyphenyl)-124-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2nc(-c(cc3)cc(OC)c3OC)ns2)=O)oc(cc2)c1cc2Br

InChI

InChI=1S/C20H16BrN3O4S/c1-10-13-9-12(21)5-7-14(13)28-17(10)19(25)23-20-22-18(24-29-20)11-4-6-15(26-2)16(8-11)27-3/h4-9H,1-3H3,(H,22,23,24,25)

InChI Key

PWIHXNAMPYEBAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.486

Water Solubility, LogSw

-5.61

Polar Surface Area

67.704

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D381-0190 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D381-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0190?
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What is the minimum amount of D381-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0190
  • 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 D381-0190 available by request