V006-0591 Screening compound: N~2~-methyl-N~2~-(2-propynyl)-5-(2,3,4-trimethoxyphenyl)-2-thiophenecarboxamide

V006-0591 Screening compound: N~2~-methyl-N~2~-(2-propynyl)-5-(2,3,4-trimethoxyphenyl)-2-thiophenecarboxamide
V006-0591 Screening compound: N~2~-methyl-N~2~-(2-propynyl)-5-(2,3,4-trimethoxyphenyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0591
N~2~-methyl-N~2~-(2-propynyl)-5-(2,3,4-trimethoxyphenyl)-2-thiophenecarboxamide

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

V006-0591

Molecular Formula

C18H19NO4S (C18 H19 NO4 S)

Compound Name

N~2~-methyl-N~2~-(2-propynyl)-5-(2,3,4-trimethoxyphenyl)-2-thiophenecarboxamide

IUPAC name

N-methyl-N-(prop-2-yn-1-yl)-5-(234-trimethoxyphenyl)thiophene-2-carboxamide

SMILES

CN(CC#C)C(c1ccc(-c(ccc(OC)c2OC)c2OC)s1)=O

InChI

InChI=1S/C18H19NO4S/c1-6-11-19(2)18(20)15-10-9-14(24-15)12-7-8-13(21-3)17(23-5)16(12)22-4/h1,7-10H,11H2,2-5H3

InChI Key

KWWNYNGZPOXFJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.70

Polar Surface Area

40.450

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

V006-0591 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V006-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0591?
Check Price and Availability of V006-0591, 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 V006-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0591
  • 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 V006-0591 available by request