3379-2105 Screening compound: 3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic acid

3379-2105 Screening compound: 3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic acid
3379-2105 Screening compound: 3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2105
3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic 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

3379-2105

Molecular Formula

C25H20N2O6 (C25 H20 N2 O6)

Compound Name

3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic acid

IUPAC name

3-[(2E)-3-[4-(acetyloxy)phenyl]-2-(phenylformamido)prop-2-enamido]benzoic acid

SMILES

CC(Oc1ccc(/C=C(\C(Nc2cccc(C(O)=O)c2)=O)/NC(c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C25H20N2O6/c1-16(28)33-21-12-10-17(11-13-21)14-22(27-23(29)18-6-3-2-4-7-18)24(30)26-20-9-5-8-19(15-20)25(31)32/h2-15H,1H3,(H,26,30)(H,27,29)(H,31,32)

InChI Key

JVFWQSLOLPMVLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-4.08

Polar Surface Area

94.413

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

3379-2105 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2105?
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What is the minimum amount of 3379-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2105
  • 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 3379-2105 available by request