3802-0575 Screening compound: 2-[(2E,4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]propanoic acid

3802-0575 Screening compound: 2-[(2E,4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]propanoic acid
3802-0575 Screening compound: 2-[(2E,4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0575
2-[(2E,4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]propanoic 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

3802-0575

Molecular Formula

C21H19BrN2O4 (C21 H19 BrN2 O4)

Compound Name

2-[(2E,4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]propanoic acid

IUPAC name

2-[(2E4E)-2-[(3-bromophenyl)formamido]-5-phenylpenta-24-dienamido]propanoic acid

SMILES

CC(C(O)=O)NC(/C(/NC(c1cccc(Br)c1)=O)=C\C=C\c1ccccc1)=O

InChI

InChI=1S/C21H19BrN2O4/c1-14(21(27)28)23-20(26)18(12-5-9-15-7-3-2-4-8-15)24-19(25)16-10-6-11-17(22)13-16/h2-14H,1H3,(H,23,26)(H,24,25)(H,27,28)/t14-/m0/s1

InChI Key

DCONTFWMLQGMQY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02914554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.3

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

3.205

Distribution Coefficient, logD

-0.193

Water Solubility, LogSw

-3.64

Polar Surface Area

74.419

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3802-0575 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 3802-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0575?
Check Price and Availability of 3802-0575, 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 3802-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0575
  • 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 3802-0575 available by request