2509-0052 Screening compound: 2-[(2E)-3-(4-fluorophenyl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamido]acetic acid

2509-0052 Screening compound: 2-[(2E)-3-(4-fluorophenyl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamido]acetic acid
2509-0052 Screening compound: 2-[(2E)-3-(4-fluorophenyl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2509-0052
2-[(2E)-3-(4-fluorophenyl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamido]acetic 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

2509-0052

Molecular Formula

C21H21FN2O7 (C21 H21 FN2 O7)

Compound Name

2-[(2E)-3-(4-fluorophenyl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamido]acetic acid

IUPAC name

2-[(2E)-3-(4-fluorophenyl)-2-[(345-trimethoxyphenyl)formamido]prop-2-enamido]acetic acid

SMILES

COc1cc(C(N/C(/C(NCC(O)=O)=O)=C/c(cc2)ccc2F)=O)cc(OC)c1OC

InChI

InChI=1S/C21H21FN2O7/c1-29-16-9-13(10-17(30-2)19(16)31-3)20(27)24-15(21(28)23-11-18(25)26)8-12-4-6-14(22)7-5-12/h4-10H,11H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)

InChI Key

MORAPMMTRXXPFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

-2.473

Water Solubility, LogSw

-2.12

Polar Surface Area

98.210

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2509-0052 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2509-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2509-0052?
Check Price and Availability of 2509-0052, 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 2509-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2509-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2509-0052
  • 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 2509-0052 available by request