8015-5188 Screening compound: 2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N~3~-(4-methylphenyl)-1,3-thiazolane-3-carbothioamide

8015-5188 Screening compound: 2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N~3~-(4-methylphenyl)-1,3-thiazolane-3-carbothioamide
8015-5188 Screening compound: 2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N~3~-(4-methylphenyl)-1,3-thiazolane-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5188
2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N~3~-(4-methylphenyl)-1,3-thiazolane-3-carbothioamide

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

8015-5188

Molecular Formula

C20H22N2OS3 (C20 H22 N2 OS3)

Compound Name

2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N~3~-(4-methylphenyl)-1,3-thiazolane-3-carbothioamide

IUPAC name

2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-N-(4-methylphenyl)-13-thiazolidine-3-carbothioamide

SMILES

CC(C)(C#Cc1ccc(C2SCCN2C(Nc2ccc(C)cc2)=S)s1)O

InChI

InChI=1S/C20H22N2OS3/c1-14-4-6-15(7-5-14)21-19(24)22-12-13-25-18(22)17-9-8-16(26-17)10-11-20(2,3)23/h4-9,18,23H,12-13H2,1-3H3,(H,21,24)/t18-/m0/s1

InChI Key

SQZGDVOBPVWXLF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03916450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.514

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-5.44

Polar Surface Area

28.133

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8015-5188 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-5188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5188?
Check Price and Availability of 8015-5188, 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 8015-5188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5188
  • 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 8015-5188 available by request