K250-0303 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

K250-0303 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide
K250-0303 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0303
N~3~-[2-(1-cyclohexenyl)ethyl]-6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

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

K250-0303

Molecular Formula

C23H22N4OS (C23 H22 N4 OS)

Compound Name

N~3~-[2-(1-cyclohexenyl)ethyl]-6-thioxo-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-9-sulfanylidene-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)24611(16)1214-heptaene-5-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1-c1nc(cccc3)c3n1C2=S)NCCC1=CCCCC1

InChI

InChI=1S/C23H22N4OS/c28-22(24-13-12-15-6-2-1-3-7-15)16-10-11-17-19(14-16)26-23(29)27-20-9-5-4-8-18(20)25-21(17)27/h4-6,8-11,14H,1-3,7,12-13H2,(H,24,28)(H,26,29)

InChI Key

BSXOYKFLLJQPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.34

Polar Surface Area

46.850

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K250-0303 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K250-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0303?
Check Price and Availability of K250-0303, 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 K250-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0303
  • 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 K250-0303 available by request