3802-0669 Screening compound: 2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-4-methylpentanoic acid

3802-0669 Screening compound: 2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-4-methylpentanoic acid
3802-0669 Screening compound: 2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0669
2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)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

3802-0669

Molecular Formula

C22H22BrN3O6 (C22 H22 BrN3 O6)

Compound Name

2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-4-methylpentanoic acid

IUPAC name

2-[(2Z)-2-[(2-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C22H22BrN3O6/c1-13(2)11-19(22(29)30)25-21(28)18(12-14-7-9-15(10-8-14)26(31)32)24-20(27)16-5-3-4-6-17(16)23/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1

InChI Key

RENMTIIFNBEYRL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03015985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

-0.767

Water Solubility, LogSw

-3.37

Polar Surface Area

108.268

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3802-0669 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3802-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0669?
Check Price and Availability of 3802-0669, 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 3802-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0669
  • 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 3802-0669 available by request