3379-2712 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic acid

3379-2712 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic acid
3379-2712 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2712
2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic 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

3379-2712

Molecular Formula

C22H23ClN2O4 (C22 H23 ClN2 O4)

Compound Name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic acid

IUPAC name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H23ClN2O4/c1-14(2)12-19(22(28)29)25-21(27)18(13-15-8-10-17(23)11-9-15)24-20(26)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t19-/m0/s1

InChI Key

MAORSCWMXCIWTC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02642387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

-0.513

Water Solubility, LogSw

-3.59

Polar Surface Area

74.886

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3379-2712 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3379-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2712?
Check Price and Availability of 3379-2712, 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 3379-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2712
  • 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 3379-2712 available by request