C449-0186 Screening compound: 3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

C449-0186 Screening compound: 3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea
C449-0186 Screening compound: 3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0186
3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]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

C449-0186

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

IUPAC name

3-ethyl-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

SMILES

CCNC(N(CCc1c(C)[nH]c(cc2)c1cc2OC)Cc1ncccc1)=S

InChI

InChI=1S/C21H26N4OS/c1-4-22-21(27)25(14-16-7-5-6-11-23-16)12-10-18-15(2)24-20-9-8-17(26-3)13-19(18)20/h5-9,11,13,24H,4,10,12,14H2,1-3H3,(H,22,27)

InChI Key

QVPCVNZNESMTIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.87

Polar Surface Area

38.639

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C449-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0186?
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What is the minimum amount of C449-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0186
  • 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 C449-0186 available by request