V003-3591 Screening compound: 5-bromo-N-{4-[5-(3-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide

V003-3591 Screening compound: 5-bromo-N-{4-[5-(3-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide
V003-3591 Screening compound: 5-bromo-N-{4-[5-(3-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3591
5-bromo-N-{4-[5-(3-fluorophenyl)-3-(propan-2-yloxy)-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

V003-3591

Molecular Formula

C24H22BrFN4O4S (C24 H22 BrFN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(nc1-c2cc(F)ccc2)nn1-c(cc1)ccc1NS(c(cc(cc1)Br)c1OC)(=O)=O

InChI

InChI=1S/C24H22BrFN4O4S/c1-15(2)34-24-27-23(16-5-4-6-18(26)13-16)30(28-24)20-10-8-19(9-11-20)29-35(31,32)22-14-17(25)7-12-21(22)33-3/h4-15,29H,1-3H3

InChI Key

BFIHQHRODREPOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782420

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.044

Water Solubility, LogSw

-5.75

Polar Surface Area

78.773

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V003-3591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3591?
Check Price and Availability of V003-3591, 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 V003-3591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3591
  • 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 V003-3591 available by request