4483-1266 Screening compound: methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

4483-1266 Screening compound: methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
4483-1266 Screening compound: methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1266
methyl 4-{4-[2-(3-nitrophenyl)-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

4483-1266

Molecular Formula

C20H18N2O8 (C20 H18 N2 O8)

Compound Name

methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

IUPAC name

methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CCC(OCC(c1cccc([N+]([O-])=O)c1)=O)=O)=O)=O

InChI

InChI=1S/C20H18N2O8/c1-29-20(26)13-5-7-15(8-6-13)21-18(24)9-10-19(25)30-12-17(23)14-3-2-4-16(11-14)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,24)

InChI Key

IVHUVQQIAMJHLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.37

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.43

Polar Surface Area

111.453

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4483-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1266?
Check Price and Availability of 4483-1266, 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 4483-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1266
  • 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 4483-1266 available by request