8015-2725 Screening compound: 5-(3-hydroxy-3-methyl-1-butynyl)-N~2~-(4-methoxyphenethyl)-2-thiophenecarboxamide

8015-2725 Screening compound: 5-(3-hydroxy-3-methyl-1-butynyl)-N~2~-(4-methoxyphenethyl)-2-thiophenecarboxamide
8015-2725 Screening compound: 5-(3-hydroxy-3-methyl-1-butynyl)-N~2~-(4-methoxyphenethyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2725
5-(3-hydroxy-3-methyl-1-butynyl)-N~2~-(4-methoxyphenethyl)-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

8015-2725

Molecular Formula

C19H21NO3S (C19 H21 NO3 S)

Compound Name

5-(3-hydroxy-3-methyl-1-butynyl)-N~2~-(4-methoxyphenethyl)-2-thiophenecarboxamide

IUPAC name

5-(3-hydroxy-3-methylbut-1-yn-1-yl)-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

SMILES

CC(C)(C#Cc1ccc(C(NCCc(cc2)ccc2OC)=O)s1)O

InChI

InChI=1S/C19H21NO3S/c1-19(2,22)12-10-16-8-9-17(24-16)18(21)20-13-11-14-4-6-15(23-3)7-5-14/h4-9,22H,11,13H2,1-3H3,(H,20,21)

InChI Key

QNSDNKSTJJSCKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-3.94

Polar Surface Area

49.243

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8015-2725 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2725?
Check Price and Availability of 8015-2725, 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 8015-2725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2725
  • 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 8015-2725 available by request