4130-4927 Screening compound: methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}benzoate

4130-4927 Screening compound: methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}benzoate
4130-4927 Screening compound: methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4927
methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}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

4130-4927

Molecular Formula

C16H11F3N2O5 (C16 H11 F3 N2 O5)

Compound Name

methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}benzoate

IUPAC name

methyl 3-nitro-5-{[2-(trifluoromethyl)phenyl]carbamoyl}benzoate

SMILES

COC(c1cc(C(Nc2c(C(F)(F)F)cccc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H11F3N2O5/c1-26-15(23)10-6-9(7-11(8-10)21(24)25)14(22)20-13-5-3-2-4-12(13)16(17,18)19/h2-8H,1H3,(H,20,22)

InChI Key

DHLITBMGGTUXNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.27

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

3.851

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.20

Polar Surface Area

77.187

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4130-4927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4927?
Check Price and Availability of 4130-4927, 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 4130-4927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4927
  • 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 4130-4927 available by request