4774-3878 Screening compound: 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

4774-3878 Screening compound: 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole
4774-3878 Screening compound: 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4774-3878
1-[2-(4-chloro-3-methylphenoxy)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

4774-3878

Molecular Formula

C22H23ClN2OS (C22 H23 ClN2 OS)

Compound Name

1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

IUPAC name

1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(pyrrolidine-1-carbothioyl)-1H-indole

SMILES

Cc(cc(cc1)OCCn2c(cccc3)c3c(C(N3CCCC3)=S)c2)c1Cl

InChI

InChI=1S/C22H23ClN2OS/c1-16-14-17(8-9-20(16)23)26-13-12-25-15-19(18-6-2-3-7-21(18)25)22(27)24-10-4-5-11-24/h2-3,6-9,14-15H,4-5,10-13H2,1H3

InChI Key

OXGCAIRXWIEJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.96

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

6.242

Distribution Coefficient, logD

6.242

Water Solubility, LogSw

-6.19

Polar Surface Area

11.681

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

12.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 4774-3878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4774-3878?
Check Price and Availability of 4774-3878, 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 4774-3878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4774-3878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4774-3878
  • 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 4774-3878 available by request