3802-0212 Screening compound: 2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-methylbutanoic acid

3802-0212 Screening compound: 2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-methylbutanoic acid
3802-0212 Screening compound: 2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0212
2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)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

3802-0212

Molecular Formula

C19H18BrN3O7 (C19 H18 BrN3 O7)

Compound Name

2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-methylbutanoic acid

IUPAC name

2-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C19H18BrN3O7/c1-10(2)16(19(26)27)22-17(24)13(21-18(25)14-7-8-15(20)30-14)9-11-3-5-12(6-4-11)23(28)29/h3-10,16H,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t16-/m0/s1

InChI Key

REJAVJVORNPHFP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02928480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

-1.450

Water Solubility, LogSw

-2.54

Polar Surface Area

116.916

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3802-0212 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3802-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0212?
Check Price and Availability of 3802-0212, 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 3802-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0212
  • 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 3802-0212 available by request