5782-2034 Screening compound: methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

5782-2034 Screening compound: methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate
5782-2034 Screening compound: methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-2034
methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}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

5782-2034

Molecular Formula

C21H20ClNO6 (C21 H20 ClNO6)

Compound Name

methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

IUPAC name

methyl 4-{5-[2-(4-chlorophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CCCC(OCC(c(cc1)ccc1Cl)=O)=O)=O)=O

InChI

InChI=1S/C21H20ClNO6/c1-28-21(27)15-7-11-17(12-8-15)23-19(25)3-2-4-20(26)29-13-18(24)14-5-9-16(22)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,25)

InChI Key

XZRNPIWAKUYWPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01616289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.85

Polar Surface Area

78.071

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5782-2034 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5782-2034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-2034?
Check Price and Availability of 5782-2034, 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 5782-2034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-2034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-2034
  • 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 5782-2034 available by request