F294-0947 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-1-yl]benzoic acid

F294-0947 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-1-yl]benzoic acid
F294-0947 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0947
5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-1-yl]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

F294-0947

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-1-yl]benzoic acid

IUPAC name

5-(4-ethylbenzenesulfonamido)-2-[4-(2-methylphenyl)-1236-tetrahydropyridin-1-yl]benzoic acid

SMILES

CCc(cc1)ccc1S(Nc(cc1)cc(C(O)=O)c1N(CC1)CC=C1c1c(C)cccc1)(=O)=O

InChI

InChI=1S/C27H28N2O4S/c1-3-20-8-11-23(12-9-20)34(32,33)28-22-10-13-26(25(18-22)27(30)31)29-16-14-21(15-17-29)24-7-5-4-6-19(24)2/h4-14,18,28H,3,15-17H2,1-2H3,(H,30,31)

InChI Key

HXYBYGLUZPVFLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14948018

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

476.6

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

6.260

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-5.26

Polar Surface Area

72.176

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F294-0947 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F294-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0947?
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What is the minimum amount of F294-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0947
  • 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 F294-0947 available by request