V013-1614 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-propylthiophene-3-carboxylate

V013-1614 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-propylthiophene-3-carboxylate
V013-1614 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-propylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1614
ethyl 2-(3,4-difluorobenzamido)-5-propylthiophene-3-carboxylate

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

V013-1614

Molecular Formula

C17H17F2NO3S (C17 H17 F2 NO3 S)

Compound Name

ethyl 2-(3,4-difluorobenzamido)-5-propylthiophene-3-carboxylate

IUPAC name

ethyl 2-(34-difluorobenzamido)-5-propylthiophene-3-carboxylate

SMILES

CCCc1cc(C(OCC)=O)c(NC(c(cc2)cc(F)c2F)=O)s1

InChI

InChI=1S/C17H17F2NO3S/c1-3-5-11-9-12(17(22)23-4-2)16(24-11)20-15(21)10-6-7-13(18)14(19)8-10/h6-9H,3-5H2,1-2H3,(H,20,21)

InChI Key

XHSLAHZQLHTDLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19957413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-4.59

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

-7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V013-1614 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1614?
Check Price and Availability of V013-1614, 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 V013-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1614
  • 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 V013-1614 available by request