8013-2121 Screening compound: ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate

8013-2121 Screening compound: ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate
8013-2121 Screening compound: ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2121
ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate

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

8013-2121

Molecular Formula

C18H17FN2O5 (C18 H17 FN2 O5)

Compound Name

ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate

IUPAC name

ethyl 3-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)propanoate

SMILES

CCOC(CC(c1cc([N+]([O-])=O)ccc1)NC(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C18H17FN2O5/c1-2-26-17(22)11-16(12-6-5-7-13(10-12)21(24)25)20-18(23)14-8-3-4-9-15(14)19/h3-10,16H,2,11H2,1H3,(H,20,23)/t16-/m0/s1

InChI Key

DYNMHNTYVAMSFU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03763722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.80

Polar Surface Area

77.822

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8013-2121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2121?
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What is the minimum amount of 8013-2121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2121
  • 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 8013-2121 available by request