C449-0095 Screening compound: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

C449-0095 Screening compound: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea
C449-0095 Screening compound: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0095
3-tert-butyl-1-[2-(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

C449-0095

Molecular Formula

C22H28N4S (C22 H28 N4 S)

Compound Name

3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

IUPAC name

3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-2-yl)methyl]thiourea

SMILES

CC(C)(C)NC(N(CCc1c(C)[nH]c2c1cccc2)Cc1ncccc1)=S

InChI

InChI=1S/C22H28N4S/c1-16-18(19-10-5-6-11-20(19)24-16)12-14-26(21(27)25-22(2,3)4)15-17-9-7-8-13-23-17/h5-11,13,24H,12,14-15H2,1-4H3,(H,25,27)

InChI Key

QMLISLQXDZXHNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.21

Polar Surface Area

30.293

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C449-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0095?
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What is the minimum amount of C449-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0095
  • 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 C449-0095 available by request