1683-6922 Screening compound: methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate

1683-6922 Screening compound: methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate
1683-6922 Screening compound: methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6922
methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate

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

1683-6922

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate

IUPAC name

methyl 2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]benzoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(Nc(cccc1)c1C(OC)=O)=O)(=O)=O

InChI

InChI=1S/C24H24N2O5S/c1-17-12-14-19(15-13-17)32(29,30)26-22(16-18-8-4-3-5-9-18)23(27)25-21-11-7-6-10-20(21)24(28)31-2/h3-15,22,26H,16H2,1-2H3,(H,25,27)/t22-/m0/s1

InChI Key

LOULMJACUUZEPJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00522851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.56

Polar Surface Area

85.408

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

1683-6922 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Integrin Receptors Targeted library (1715 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 1683-6922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6922?
Check Price and Availability of 1683-6922, 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 1683-6922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6922
  • 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 1683-6922 available by request