K284-1176 Screening compound: (4-cyclohexylpiperazino)(6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-3-yl)methanone

K284-1176 Screening compound: (4-cyclohexylpiperazino)(6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-3-yl)methanone
K284-1176 Screening compound: (4-cyclohexylpiperazino)(6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1176
(4-cyclohexylpiperazino)(6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-3-yl)methanone

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

K284-1176

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

(4-cyclohexylpiperazino)(6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-3-yl)methanone

IUPAC name

5-(4-cyclohexylpiperazine-1-carbonyl)-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)24611(16)1214-heptaene-9-thione

SMILES

O=C(c(cc1)cc(N2)c1-c1nc(cccc3)c3n1C2=S)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C25H27N5OS/c31-24(29-14-12-28(13-15-29)18-6-2-1-3-7-18)17-10-11-19-21(16-17)27-25(32)30-22-9-5-4-8-20(22)26-23(19)30/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,27,32)

InChI Key

DGHVSYQPLUYIEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.11

Polar Surface Area

42.145

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K284-1176 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1176?
Check Price and Availability of K284-1176, 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 K284-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1176
  • 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 K284-1176 available by request