F294-0331 Screening compound: 2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

F294-0331 Screening compound: 2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid
F294-0331 Screening compound: 2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0331
2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

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

F294-0331

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

IUPAC name

2-(azepan-1-yl)-5-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

SMILES

CC(C)Cc(cc1)ccc1S(Nc(cc1)cc(C(O)=O)c1N1CCCCCC1)(=O)=O

InChI

InChI=1S/C23H30N2O4S/c1-17(2)15-18-7-10-20(11-8-18)30(28,29)24-19-9-12-22(21(16-19)23(26)27)25-13-5-3-4-6-14-25/h7-12,16-17,24H,3-6,13-15H2,1-2H3,(H,26,27)

InChI Key

NHEISIQALJLEPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947850

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.942

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-5.21

Polar Surface Area

72.779

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with F294-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0331?
Check Price and Availability of F294-0331, 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 F294-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0331
  • 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 F294-0331 available by request