4130-4937 Screening compound: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate

4130-4937 Screening compound: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
4130-4937 Screening compound: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4937
methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate

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

4130-4937

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate

IUPAC name

methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate

SMILES

CCc(cccc1C)c1NC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C18H18N2O5/c1-4-12-7-5-6-11(2)16(12)19-17(21)13-8-14(18(22)25-3)10-15(9-13)20(23)24/h5-10H,4H2,1-3H3,(H,19,21)

InChI Key

CUXOUESFBMRBHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-3.84

Polar Surface Area

76.489

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4130-4937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4937?
Check Price and Availability of 4130-4937, 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 4130-4937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4937
  • 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 4130-4937 available by request