4774-3863 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

4774-3863 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole
4774-3863 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4774-3863
1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

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

4774-3863

Molecular Formula

C21H21ClN2OS (C21 H21 ClN2 OS)

Compound Name

1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

IUPAC name

1-[2-(2-chlorophenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

SMILES

S=C(c1cn(CCOc(cccc2)c2Cl)c2c1cccc2)N1CCCC1

InChI

InChI=1S/C21H21ClN2OS/c22-18-8-2-4-10-20(18)25-14-13-24-15-17(16-7-1-3-9-19(16)24)21(26)23-11-5-6-12-23/h1-4,7-10,15H,5-6,11-14H2

InChI Key

YTGIELSZVUHCGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-6.02

Polar Surface Area

11.768

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

12.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4774-3863 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4774-3863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4774-3863?
Check Price and Availability of 4774-3863, 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 4774-3863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4774-3863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4774-3863
  • 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 4774-3863 available by request