V004-9859 Screening compound: 5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide

V004-9859 Screening compound: 5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide
V004-9859 Screening compound: 5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9859
5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide

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

V004-9859

Molecular Formula

C23H23BrN4O6S (C23 H23 BrN4 O6 S)

Compound Name

5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide

IUPAC name

5-bromo-N-{4-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-124-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide

SMILES

CCOCCOc(nc1-c2ccco2)nn1-c(cc1)ccc1NS(c(cc(cc1)Br)c1OC)(=O)=O

InChI

InChI=1S/C23H23BrN4O6S/c1-3-32-13-14-34-23-25-22(20-5-4-12-33-20)28(26-23)18-9-7-17(8-10-18)27-35(29,30)21-15-16(24)6-11-19(21)31-2/h4-12,15,27H,3,13-14H2,1-2H3

InChI Key

IJYBRJQLWICMOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.33

Polar Surface Area

95.944

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V004-9859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9859?
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What is the minimum amount of V004-9859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9859
  • 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 V004-9859 available by request