0242-0578 Screening compound: 3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid

0242-0578 Screening compound: 3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid
0242-0578 Screening compound: 3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0578
3-methyl-2-(4-methylbenzenesulfonamido)pentanoic 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

0242-0578

Molecular Formula

C13H19NO4S (C13 H19 NO4 S)

Compound Name

3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid

IUPAC name

3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid

SMILES

CCC(C)C(C(O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C13H19NO4S/c1-4-10(3)12(13(15)16)14-19(17,18)11-7-5-9(2)6-8-11/h5-8,10,12,14H,4H2,1-3H3,(H,15,16)

InChI Key

VPXRIBOJICTEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

-1.944

Water Solubility, LogSw

-2.58

Polar Surface Area

70.242

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

0242-0578 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0242-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0578?
Check Price and Availability of 0242-0578, 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 0242-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0578
  • 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 0242-0578 available by request