C449-0069 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-3-[(pyridin-2-yl)methyl]thiourea

C449-0069 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-3-[(pyridin-2-yl)methyl]thiourea
C449-0069 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-3-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0069
3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-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

C449-0069

Molecular Formula

C24H22Cl2N4S (C24 H22 Cl2 N4 S)

Compound Name

3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-3-[(pyridin-2-yl)methyl]thiourea

IUPAC name

3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(4-chlorophenyl)-3-[(pyridin-2-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2ncccc2)C(Nc(cc2)ccc2Cl)=S)c(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C24H22Cl2N4S/c1-16-21(22-14-18(26)7-10-23(22)28-16)11-13-30(15-20-4-2-3-12-27-20)24(31)29-19-8-5-17(25)6-9-19/h2-10,12,14,28H,11,13,15H2,1H3,(H,29,31)

InChI Key

NPNZEFCPYUEYQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.44

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

6.250

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-6.27

Polar Surface Area

29.875

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C449-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0069?
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What is the minimum amount of C449-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0069
  • 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 C449-0069 available by request