C449-0145 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-2-yl)methyl]thiourea

C449-0145 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-2-yl)methyl]thiourea
C449-0145 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0145
3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(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

C449-0145

Molecular Formula

C27H30N4S (C27 H30 N4 S)

Compound Name

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

IUPAC name

3-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-2-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2ncccc2)C(NCCc2ccccc2)=S)c(cc(C)cc2)c2[nH]1

InChI

InChI=1S/C27H30N4S/c1-20-11-12-26-25(18-20)24(21(2)30-26)14-17-31(19-23-10-6-7-15-28-23)27(32)29-16-13-22-8-4-3-5-9-22/h3-12,15,18,30H,13-14,16-17,19H2,1-2H3,(H,29,32)

InChI Key

JNBCZPHFZYWOFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.31

Polar Surface Area

31.039

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C449-0145 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C449-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0145?
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What is the minimum amount of C449-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0145
  • 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 C449-0145 available by request