3630-0453 Screening compound: 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

3630-0453 Screening compound: 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
3630-0453 Screening compound: 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0453
1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

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

3630-0453

Molecular Formula

C17H23N3S (C17 H23 N3 S)

Compound Name

1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

IUPAC name

1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

SMILES

S=C(NCCc1c[nH]c2c1cccc2)NC1CCCCC1

InChI

InChI=1S/C17H23N3S/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,19H,1-3,6-7,10-11H2,(H2,18,20,21)

InChI Key

BSMSTXNZZWTSPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.13

Polar Surface Area

31.143

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

3630-0453 in Drug Discovery

Included in Screening Libraries

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

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 3630-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0453?
Check Price and Availability of 3630-0453, 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 3630-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0453
  • 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 3630-0453 available by request