8003-1684 Screening compound: 2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic acid

8003-1684 Screening compound: 2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic acid
8003-1684 Screening compound: 2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1684
2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic 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

8003-1684

Molecular Formula

C25H19BrN4O7 (C25 H19 BrN4 O7)

Compound Name

2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic acid

IUPAC name

2-{4-bromo-2-[(E)-{[(2Z)-3-(4-nitrophenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenoxy}acetic acid

SMILES

[O-][N+](c1ccc(/C=C(/C(N/N=C/c(cc(cc2)Br)c2OCC(O)=O)=O)\NC(c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C25H19BrN4O7/c26-19-8-11-22(37-15-23(31)32)18(13-19)14-27-29-25(34)21(28-24(33)17-4-2-1-3-5-17)12-16-6-9-20(10-7-16)30(35)36/h1-14H,15H2,(H,28,33)(H,29,34)(H,31,32)

InChI Key

HIVUSVSVTPJTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

0.453

Water Solubility, LogSw

-4.60

Polar Surface Area

126.830

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8003-1684 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 8003-1684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1684?
Check Price and Availability of 8003-1684, 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 8003-1684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1684
  • 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 8003-1684 available by request