C467-0003 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

C467-0003 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea
C467-0003 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0003
3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-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

C467-0003

Molecular Formula

C17H21ClN4S (C17 H21 ClN4 S)

Compound Name

3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

IUPAC name

3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

SMILES

Cc(c(NC(NCC(c1cnccc1)N(C)C)=S)ccc1)c1Cl

InChI

InChI=1S/C17H21ClN4S/c1-12-14(18)7-4-8-15(12)21-17(23)20-11-16(22(2)3)13-6-5-9-19-10-13/h4-10,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1

InChI Key

BZXNDLHJMBAMBL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04467244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-3.57

Polar Surface Area

31.545

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C467-0003 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C467-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0003?
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What is the minimum amount of C467-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0003
  • 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 C467-0003 available by request