8013-3953 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid

8013-3953 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
8013-3953 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3953
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid

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

8013-3953

Molecular Formula

C20H22N2O7 (C20 H22 N2 O7)

Compound Name

3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid

IUPAC name

3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrophenyl)formamido]propanoic acid

SMILES

CCOc(ccc(C(CC(O)=O)NC(c1cccc([N+]([O-])=O)c1C)=O)c1)c1OC

InChI

InChI=1S/C20H22N2O7/c1-4-29-17-9-8-13(10-18(17)28-3)15(11-19(23)24)21-20(25)14-6-5-7-16(12(14)2)22(26)27/h5-10,15H,4,11H2,1-3H3,(H,21,25)(H,23,24)/t15-/m0/s1

InChI Key

CZPUJZMCCONFNV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03766450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

0.133

Water Solubility, LogSw

-3.29

Polar Surface Area

100.587

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8013-3953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3953?
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What is the minimum amount of 8013-3953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3953
  • 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 8013-3953 available by request