3865-0047 Screening compound: 2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic acid

3865-0047 Screening compound: 2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic acid
3865-0047 Screening compound: 2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3865-0047
2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic 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

3865-0047

Molecular Formula

C21H21FN2O4 (C21 H21 FN2 O4)

Compound Name

2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic acid

IUPAC name

2-[(2Z)-3-(4-fluorophenyl)-2-(phenylformamido)prop-2-enamido]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1F)=O

InChI

InChI=1S/C21H21FN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-14-8-10-16(22)11-9-14)23-19(25)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t18-/m0/s1

InChI Key

QKGRIBSRJBJWAO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01879436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

-1.589

Water Solubility, LogSw

-2.16

Polar Surface Area

74.608

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

3865-0047 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 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 3865-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3865-0047?
Check Price and Availability of 3865-0047, 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 3865-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3865-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3865-0047
  • 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 3865-0047 available by request