8002-0332 Screening compound: 4-{[(E)-1-(5-bromo-2-methoxyphenyl)methylidene]amino}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzenesulfonamide

8002-0332 Screening compound: 4-{[(E)-1-(5-bromo-2-methoxyphenyl)methylidene]amino}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzenesulfonamide
8002-0332 Screening compound: 4-{[(E)-1-(5-bromo-2-methoxyphenyl)methylidene]amino}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0332
4-{[(E)-1-(5-bromo-2-methoxyphenyl)methylidene]amino}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzenesulfonamide

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

8002-0332

Molecular Formula

C18H17BrN4O3S2 (C18 H17 BrN4 O3 S2)

Compound Name

4-{[(E)-1-(5-bromo-2-methoxyphenyl)methylidene]amino}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzenesulfonamide

IUPAC name

n/a

SMILES

CCc1nnc(NS(c(cc2)ccc2/N=C/c(cc(cc2)Br)c2OC)(=O)=O)s1

InChI

InChI=1S/C18H17BrN4O3S2/c1-3-17-21-22-18(27-17)23-28(24,25)15-7-5-14(6-8-15)20-11-12-10-13(19)4-9-16(12)26-2/h4-11H,3H2,1-2H3,(H,22,23)

InChI Key

PEJUKFKLJYFRDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

1.377

Water Solubility, LogSw

-4.37

Polar Surface Area

80.686

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8002-0332 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8002-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0332?
Check Price and Availability of 8002-0332, 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 8002-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0332
  • 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 8002-0332 available by request