V013-0024 Screening compound: ethyl 2-(2,4-difluorobenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate

V013-0024 Screening compound: ethyl 2-(2,4-difluorobenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate
V013-0024 Screening compound: ethyl 2-(2,4-difluorobenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0024
ethyl 2-(2,4-difluorobenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-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

V013-0024

Molecular Formula

C22H25F2NO3S (C22 H25 F2 NO3 S)

Compound Name

ethyl 2-(2,4-difluorobenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(24-difluorobenzamido)-5-[(2S)-6-methylhept-5-en-2-yl]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(ccc(F)c2)c2F)=O)sc(C(C)CCC=C(C)C)c1)=O

InChI

InChI=1S/C22H25F2NO3S/c1-5-28-22(27)17-12-19(14(4)8-6-7-13(2)3)29-21(17)25-20(26)16-10-9-15(23)11-18(16)24/h7,9-12,14H,5-6,8H2,1-4H3,(H,25,26)/t14-/m0/s1

InChI Key

VLRZKXUBWADHDD-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.465

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-5.63

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V013-0024 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0024?
Check Price and Availability of V013-0024, 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 V013-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0024
  • 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 V013-0024 available by request