C340-0405 Screening compound: 4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide

C340-0405 Screening compound: 4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide
C340-0405 Screening compound: 4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0405
4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide

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

C340-0405

Molecular Formula

C26H30ClN5OS (C26 H30 ClN5 OS)

Compound Name

4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide

IUPAC name

4-(5-chloro-2-methylphenyl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]piperazine-1-carbothioamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(Nc1cc2c(C)cc(N3CCOCC3)nc2cc1)=S

InChI

InChI=1S/C26H30ClN5OS/c1-18-3-4-20(27)16-24(18)30-7-9-32(10-8-30)26(34)28-21-5-6-23-22(17-21)19(2)15-25(29-23)31-11-13-33-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,34)

InChI Key

VIRDNSPGWWTKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

6.453

Water Solubility, LogSw

-6.41

Polar Surface Area

33.251

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C340-0405 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C340-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0405?
Check Price and Availability of C340-0405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C340-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0405
  • 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 C340-0405 available by request