C340-0178 Screening compound: 4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide

C340-0178 Screening compound: 4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
C340-0178 Screening compound: 4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0178
4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-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

C340-0178

Molecular Formula

C27H33N5S (C27 H33 N5 S)

Compound Name

4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide

IUPAC name

4-(25-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide

SMILES

Cc1cc(N(CC2)CCN2C(Nc2cc3c(C)cc(N4CCCC4)nc3cc2)=S)c(C)cc1

InChI

InChI=1S/C27H33N5S/c1-19-6-7-20(2)25(16-19)30-12-14-32(15-13-30)27(33)28-22-8-9-24-23(18-22)21(3)17-26(29-24)31-10-4-5-11-31/h6-9,16-18H,4-5,10-15H2,1-3H3,(H,28,33)

InChI Key

BMHVVYSGBISEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.052

Distribution Coefficient, logD

7.050

Water Solubility, LogSw

-5.79

Polar Surface Area

25.709

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C340-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0178?
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What is the minimum amount of C340-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0178
  • 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 C340-0178 available by request