D381-0181 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

D381-0181 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
D381-0181 Screening compound: 5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0181
5-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]furan-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

D381-0181

Molecular Formula

C15H12BrN3O4S (C15 H12 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1nsc(NC(c(o2)ccc2Br)=O)n1)c1)c1OC

InChI

InChI=1S/C15H12BrN3O4S/c1-21-9-4-3-8(7-11(9)22-2)13-17-15(24-19-13)18-14(20)10-5-6-12(16)23-10/h3-7H,1-2H3,(H,17,18,19,20)

InChI Key

HQCFMYZAJOBIEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.25

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

3.791

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-4.17

Polar Surface Area

68.104

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D381-0181 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D381-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0181?
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What is the minimum amount of D381-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0181
  • 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 D381-0181 available by request