3126-1656 Screening compound: 2-{[2-(4-methylbenzamido)phenyl]formamido}-4-(methylsulfanyl)butanoic acid

3126-1656 Screening compound: 2-{[2-(4-methylbenzamido)phenyl]formamido}-4-(methylsulfanyl)butanoic acid
3126-1656 Screening compound: 2-{[2-(4-methylbenzamido)phenyl]formamido}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3126-1656
2-{[2-(4-methylbenzamido)phenyl]formamido}-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

3126-1656

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

2-{[2-(4-methylbenzamido)phenyl]formamido}-4-(methylsulfanyl)butanoic acid

IUPAC name

2-{[2-(4-methylbenzamido)phenyl]formamido}-4-(methylsulfanyl)butanoic acid

SMILES

Cc(cc1)ccc1C(Nc(cccc1)c1C(NC(CCSC)C(O)=O)=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-13-7-9-14(10-8-13)18(23)21-16-6-4-3-5-15(16)19(24)22-17(20(25)26)11-12-27-2/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/t17-/m0/s1

InChI Key

XOCPVFBNIIAYDD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00840210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

-1.361

Water Solubility, LogSw

-2.99

Polar Surface Area

75.355

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3126-1656 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3126-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3126-1656?
Check Price and Availability of 3126-1656, 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 3126-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3126-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3126-1656
  • 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 3126-1656 available by request