8007-8596 Screening compound: octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

8007-8596 Screening compound: octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
8007-8596 Screening compound: octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8596
octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

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

8007-8596

Molecular Formula

C27H32BrNO6 (C27 H32 BrNO6)

Compound Name

octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

IUPAC name

octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

SMILES

CCCCCCCCOC(c(cc1)ccc1NC(CCC(OCC(c(cc1)ccc1Br)=O)=O)=O)=O

InChI

InChI=1S/C27H32BrNO6/c1-2-3-4-5-6-7-18-34-27(33)21-10-14-23(15-11-21)29-25(31)16-17-26(32)35-19-24(30)20-8-12-22(28)13-9-20/h8-15H,2-7,16-19H2,1H3,(H,29,31)

InChI Key

IHQULNHGTVRNFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.949

Distribution Coefficient, logD

6.948

Water Solubility, LogSw

-5.76

Polar Surface Area

77.945

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

8007-8596 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8007-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8596?
Check Price and Availability of 8007-8596, 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 8007-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8596
  • 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 8007-8596 available by request