1682-0223 Screening compound: 2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

1682-0223 Screening compound: 2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
1682-0223 Screening compound: 2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-0223
2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic 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

1682-0223

Molecular Formula

C12H17NO4S2 (C12 H17 NO4 S2)

Compound Name

2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

IUPAC name

2-(4-methylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

SMILES

Cc(cc1)ccc1S(NC(CCSC)C(O)=O)(=O)=O

InChI

InChI=1S/C12H17NO4S2/c1-9-3-5-10(6-4-9)19(16,17)13-11(12(14)15)7-8-18-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)/t11-/m0/s1

InChI Key

WURIPAYKVUIDHJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD00425359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

-2.193

Water Solubility, LogSw

-2.40

Polar Surface Area

70.520

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 1682-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-0223?
Check Price and Availability of 1682-0223, 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 1682-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-0223
  • 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 1682-0223 available by request