4068-0125 Screening compound: 4-bromo-N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

4068-0125 Screening compound: 4-bromo-N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
4068-0125 Screening compound: 4-bromo-N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4068-0125
4-bromo-N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-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

4068-0125

Molecular Formula

C18H16BrN3O4S2 (C18 H16 BrN3 O4 S2)

Compound Name

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

IUPAC name

4-bromo-N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(cc1)ccc1S(CCc1nnc(NC(c(cc2)ccc2Br)=O)s1)(=O)=O

InChI

InChI=1S/C18H16BrN3O4S2/c1-26-14-6-8-15(9-7-14)28(24,25)11-10-16-21-22-18(27-16)20-17(23)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,22,23)

InChI Key

QLRQHTNERQZCOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-4.10

Polar Surface Area

83.678

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4068-0125 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 4068-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4068-0125?
Check Price and Availability of 4068-0125, 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 4068-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4068-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4068-0125
  • 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 4068-0125 available by request