F294-1098 Screening compound: 5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid

F294-1098 Screening compound: 5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid
F294-1098 Screening compound: 5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-1098
5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}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

F294-1098

Molecular Formula

C23H27ClN4O4S (C23 H27 ClN4 O4 S)

Compound Name

5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid

IUPAC name

5-(3-chloro-2-methylbenzenesulfonamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid

SMILES

CCCn1nc(C)cc1CN(C)c(ccc(NS(c1cccc(Cl)c1C)(=O)=O)c1)c1C(O)=O

InChI

InChI=1S/C23H27ClN4O4S/c1-5-11-28-18(12-15(2)25-28)14-27(4)21-10-9-17(13-19(21)23(29)30)26-33(31,32)22-8-6-7-20(24)16(22)3/h6-10,12-13,26H,5,11,14H2,1-4H3,(H,29,30)

InChI Key

WARVTBXHOSPRNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27113529

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

491.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-4.22

Polar Surface Area

85.446

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F294-1098 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F294-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-1098?
Check Price and Availability of F294-1098, 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 F294-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-1098
  • 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 F294-1098 available by request