4483-3318 Screening compound: methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

4483-3318 Screening compound: methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate
4483-3318 Screening compound: methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3318
methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-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

4483-3318

Molecular Formula

C22H22N2O8 (C22 H22 N2 O8)

Compound Name

methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

IUPAC name

methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate

SMILES

Cc(ccc(C(COC(CCCC(Nc(cc1)ccc1C(OC)=O)=O)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H22N2O8/c1-14-6-7-16(12-18(14)24(29)30)19(25)13-32-21(27)5-3-4-20(26)23-17-10-8-15(9-11-17)22(28)31-2/h6-12H,3-5,13H2,1-2H3,(H,23,26)

InChI Key

NNDLEORSZGJQFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.272

Water Solubility, LogSw

-3.65

Polar Surface Area

111.152

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4483-3318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3318?
Check Price and Availability of 4483-3318, 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 4483-3318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3318
  • 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 4483-3318 available by request