K780-0688 Screening compound: methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate

K780-0688 Screening compound: methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate
K780-0688 Screening compound: methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0688
methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate

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

K780-0688

Molecular Formula

C13H11BrO5S (C13 H11 BrO5 S)

Compound Name

methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate

IUPAC name

methyl 5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)=O

InChI

InChI=1S/C13H11BrO5S/c1-18-13(15)12-7-4-10(19-12)8-20(16,17)11-5-2-9(14)3-6-11/h2-7H,8H2,1H3

InChI Key

HHARQTPSVLQNKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07368985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.25

Polar Surface Area

58.018

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K780-0688 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K780-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0688?
Check Price and Availability of K780-0688, 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 K780-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0688
  • 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 K780-0688 available by request