8008-4558 Screening compound: ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-3,5-dinitrobenzamido}benzoate

8008-4558 Screening compound: ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-3,5-dinitrobenzamido}benzoate
8008-4558 Screening compound: ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-3,5-dinitrobenzamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4558
ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-3,5-dinitrobenzamido}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

8008-4558

Molecular Formula

C23H19FN4O7 (C23 H19 FN4 O7)

Compound Name

ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-3,5-dinitrobenzamido}benzoate

IUPAC name

ethyl 4-{4-[(3-fluoro-4-methylphenyl)amino]-35-dinitrobenzamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1Nc1cc(F)c(C)cc1)=O)=O

InChI

InChI=1S/C23H19FN4O7/c1-3-35-23(30)14-5-8-16(9-6-14)26-22(29)15-10-19(27(31)32)21(20(11-15)28(33)34)25-17-7-4-13(2)18(24)12-17/h4-12,25H,3H2,1-2H3,(H,26,29)

InChI Key

KQEBFSSWWIEGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-5.39

Polar Surface Area

117.761

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8008-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4558?
Check Price and Availability of 8008-4558, 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 8008-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4558
  • 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 8008-4558 available by request