C340-0442 Screening compound: 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]thiourea

C340-0442 Screening compound: 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]thiourea
C340-0442 Screening compound: 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0442
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]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

C340-0442

Molecular Formula

C28H35FN6OS (C28 H35 FN6 OS)

Compound Name

1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]thiourea

IUPAC name

1-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]thiourea

SMILES

Cc1c(cc(cc2)NC(NCCCN(CC3)CCN3c(cccc3)c3F)=S)c2nc(N2CCOCC2)c1

InChI

InChI=1S/C28H35FN6OS/c1-21-19-27(35-15-17-36-18-16-35)32-25-8-7-22(20-23(21)25)31-28(37)30-9-4-10-33-11-13-34(14-12-33)26-6-3-2-5-24(26)29/h2-3,5-8,19-20H,4,9-18H2,1H3,(H2,30,31,37)

InChI Key

KJJYRDQKTBWBIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.749

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.45

Polar Surface Area

46.322

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C340-0442 in Drug Discovery

Included in Screening Libraries

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 C340-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0442?
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What is the minimum amount of C340-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0442
  • 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 C340-0442 available by request