8013-2108 Screening compound: ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate

8013-2108 Screening compound: ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate
8013-2108 Screening compound: ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2108
ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate

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

8013-2108

Molecular Formula

C20H22N2O6 (C20 H22 N2 O6)

Compound Name

ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate

IUPAC name

ethyl 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)formamido]propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(c1cc([N+]([O-])=O)c(C)cc1)=O)=O

InChI

InChI=1S/C20H22N2O6/c1-4-28-19(23)12-17(14-7-9-16(27-3)10-8-14)21-20(24)15-6-5-13(2)18(11-15)22(25)26/h5-11,17H,4,12H2,1-3H3,(H,21,24)/t17-/m0/s1

InChI Key

IAOKNUOHQVCTFZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03763709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.95

Polar Surface Area

85.065

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8013-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2108?
Check Price and Availability of 8013-2108, 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 8013-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2108
  • 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 8013-2108 available by request