K250-0401 Screening compound: 2-([1,3]benzimidazo[1,2-c]quinazolin-6-ylsulfanyl)-N~1~-(3-pyridylmethyl)butanamide

K250-0401 Screening compound: 2-([1,3]benzimidazo[1,2-c]quinazolin-6-ylsulfanyl)-N~1~-(3-pyridylmethyl)butanamide
K250-0401 Screening compound: 2-([1,3]benzimidazo[1,2-c]quinazolin-6-ylsulfanyl)-N~1~-(3-pyridylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0401
2-([1,3]benzimidazo[1,2-c]quinazolin-6-ylsulfanyl)-N~1~-(3-pyridylmethyl)butanamide

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

K250-0401

Molecular Formula

C24H21N5OS (C24 H21 N5 OS)

Compound Name

2-([1,3]benzimidazo[1,2-c]quinazolin-6-ylsulfanyl)-N~1~-(3-pyridylmethyl)butanamide

IUPAC name

N-[(pyridin-3-yl)methyl]-2-{81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaen-9-ylsulfanyl}butanamide

SMILES

CCC(C(NCc1cnccc1)=O)Sc1nc(cccc2)c2c2nc(cccc3)c3n12

InChI

InChI=1S/C24H21N5OS/c1-2-21(23(30)26-15-16-8-7-13-25-14-16)31-24-28-18-10-4-3-9-17(18)22-27-19-11-5-6-12-20(19)29(22)24/h3-14,21H,2,15H2,1H3,(H,26,30)/t21-/m0/s1

InChI Key

AGLTZCHNFTUZII-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15084007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.02

Polar Surface Area

51.021

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

K250-0401 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K250-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0401?
Check Price and Availability of K250-0401, 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 K250-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0401
  • 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 K250-0401 available by request