0831-0710 Screening compound: 4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-2-carboxylate

0831-0710 Screening compound: 4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-2-carboxylate
0831-0710 Screening compound: 4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0710
4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-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

0831-0710

Molecular Formula

C25H19BrN2O5S (C25 H19 BrN2 O5 S)

Compound Name

4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-2-carboxylate

IUPAC name

4-[(E)-[(4-methylbenzenesulfonamido)imino](phenyl)methyl]phenyl 5-bromofuran-2-carboxylate

SMILES

Cc(cc1)ccc1S(N/N=C(\c1ccccc1)/c(cc1)ccc1OC(c(o1)ccc1Br)=O)(=O)=O

InChI

InChI=1S/C25H19BrN2O5S/c1-17-7-13-21(14-8-17)34(30,31)28-27-24(18-5-3-2-4-6-18)19-9-11-20(12-10-19)32-25(29)22-15-16-23(26)33-22/h2-16,28H,1H3

InChI Key

YHPIBWQIIJFXOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.41

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

5.699

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-5.69

Polar Surface Area

79.379

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 0831-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0710?
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What is the minimum amount of 0831-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0710
  • 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 0831-0710 available by request