K788-7580 Screening compound: N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide

K788-7580 Screening compound: N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide
K788-7580 Screening compound: N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7580
N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-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

K788-7580

Molecular Formula

C20H24N2OS (C20 H24 N2 OS)

Compound Name

N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide

IUPAC name

N-(4-ethoxyphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide

SMILES

CCOc(cc1)ccc1NC(N(CC1)CC1c1ccc(C)cc1)=S

InChI

InChI=1S/C20H24N2OS/c1-3-23-19-10-8-18(9-11-19)21-20(24)22-13-12-17(14-22)16-6-4-15(2)5-7-16/h4-11,17H,3,12-14H2,1-2H3,(H,21,24)/t17-/m1/s1

InChI Key

DLUSHUOUCXORQQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15107259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.14

Polar Surface Area

18.288

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

K788-7580 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-7580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7580?
Check Price and Availability of K788-7580, 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 K788-7580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7580
  • 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 K788-7580 available by request