2616-1921 Screening compound: methyl 3-[(2-fluorophenyl)carbamoyl]-5-nitrobenzoate

2616-1921 Screening compound: methyl 3-[(2-fluorophenyl)carbamoyl]-5-nitrobenzoate
2616-1921 Screening compound: methyl 3-[(2-fluorophenyl)carbamoyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2616-1921
methyl 3-[(2-fluorophenyl)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

2616-1921

Molecular Formula

C15H11FN2O5 (C15 H11 FN2 O5)

Compound Name

methyl 3-[(2-fluorophenyl)carbamoyl]-5-nitrobenzoate

IUPAC name

methyl 3-[(2-fluorophenyl)carbamoyl]-5-nitrobenzoate

SMILES

COC(c1cc(C(Nc(cccc2)c2F)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C15H11FN2O5/c1-23-15(20)10-6-9(7-11(8-10)18(21)22)14(19)17-13-5-3-2-4-12(13)16/h2-8H,1H3,(H,17,19)

InChI Key

UVFCBSSNVKVLTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.56

Polar Surface Area

77.187

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 2616-1921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2616-1921?
Check Price and Availability of 2616-1921, 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 2616-1921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2616-1921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2616-1921
  • 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 2616-1921 available by request