1778-2024 Screening compound: 1,3-dimethyl 5-(2-fluorobenzamido)benzene-1,3-dicarboxylate

1778-2024 Screening compound: 1,3-dimethyl 5-(2-fluorobenzamido)benzene-1,3-dicarboxylate
1778-2024 Screening compound: 1,3-dimethyl 5-(2-fluorobenzamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-2024
1,3-dimethyl 5-(2-fluorobenzamido)benzene-1,3-dicarboxylate

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

1778-2024

Molecular Formula

C17H14FNO5 (C17 H14 FNO5)

Compound Name

1,3-dimethyl 5-(2-fluorobenzamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-fluorobenzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cccc2)c2F)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H14FNO5/c1-23-16(21)10-7-11(17(22)24-2)9-12(8-10)19-15(20)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H,19,20)

InChI Key

ZTGQOGHXVORBKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00171634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.86

Polar Surface Area

65.677

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1778-2024 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1778-2024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-2024?
Check Price and Availability of 1778-2024, 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 1778-2024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-2024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-2024
  • 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 1778-2024 available by request