5622-0023 Screening compound: 6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic acid

5622-0023 Screening compound: 6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic acid
5622-0023 Screening compound: 6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5622-0023
6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic 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

5622-0023

Molecular Formula

C20H21N3O7 (C20 H21 N3 O7)

Compound Name

6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic acid

IUPAC name

6-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]hexanoic acid

SMILES

[O-][N+](c1cc(/C=C(/C(NCCCCCC(O)=O)=O)\NC(c2ccco2)=O)ccc1)=O

InChI

InChI=1S/C20H21N3O7/c24-18(25)9-2-1-3-10-21-19(26)16(22-20(27)17-8-5-11-30-17)13-14-6-4-7-15(12-14)23(28)29/h4-8,11-13H,1-3,9-10H2,(H,21,26)(H,22,27)(H,24,25)

InChI Key

GCVUFYXILCKPQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

-1.253

Water Solubility, LogSw

-1.85

Polar Surface Area

117.033

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5622-0023 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5622-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5622-0023?
Check Price and Availability of 5622-0023, 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 5622-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5622-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5622-0023
  • 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 5622-0023 available by request