4130-4217 Screening compound: propyl 4-(4-methoxy-3-nitrobenzamido)benzoate

4130-4217 Screening compound: propyl 4-(4-methoxy-3-nitrobenzamido)benzoate
4130-4217 Screening compound: propyl 4-(4-methoxy-3-nitrobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4217
propyl 4-(4-methoxy-3-nitrobenzamido)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

4130-4217

Molecular Formula

C18H18N2O6 (C18 H18 N2 O6)

Compound Name

propyl 4-(4-methoxy-3-nitrobenzamido)benzoate

IUPAC name

propyl 4-(4-methoxy-3-nitrobenzamido)benzoate

SMILES

CCCOC(c(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1OC)=O)=O

InChI

InChI=1S/C18H18N2O6/c1-3-10-26-18(22)12-4-7-14(8-5-12)19-17(21)13-6-9-16(25-2)15(11-13)20(23)24/h4-9,11H,3,10H2,1-2H3,(H,19,21)

InChI Key

IGQUUCCSROXJOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.98

Polar Surface Area

85.088

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4130-4217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4217?
Check Price and Availability of 4130-4217, 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 4130-4217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4217
  • 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 4130-4217 available by request