3202-0086 Screening compound: 4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide

3202-0086 Screening compound: 4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
3202-0086 Screening compound: 4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0086
4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide

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

3202-0086

Molecular Formula

C18H16BrN3O2S (C18 H16 BrN3 O2 S)

Compound Name

4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-bromo-N-{5-[(23-dimethylphenoxy)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

Cc1cccc(OCc2nnc(NC(c(cc3)ccc3Br)=O)s2)c1C

InChI

InChI=1S/C18H16BrN3O2S/c1-11-4-3-5-15(12(11)2)24-10-16-21-22-18(25-16)20-17(23)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3,(H,20,22,23)

InChI Key

SUFRNOXGUPXFJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02034666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-5.11

Polar Surface Area

54.684

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3202-0086 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3202-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0086?
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What is the minimum amount of 3202-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0086
  • 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 3202-0086 available by request