K250-0171 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(2-oxo-2-phenylethyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

K250-0171 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(2-oxo-2-phenylethyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide
K250-0171 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(2-oxo-2-phenylethyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0171
N~3~-(3,4-dimethoxyphenethyl)-6-[(2-oxo-2-phenylethyl)sulfanyl][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

K250-0171

Molecular Formula

C33H28N4O4S (C33 H28 N4 O4 S)

Compound Name

N~3~-(3,4-dimethoxyphenethyl)-6-[(2-oxo-2-phenylethyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-9-[(2-oxo-2-phenylethyl)sulfanyl]-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaene-5-carboxamide

SMILES

COc(ccc(CCNC(c(cc1)cc2c1c1nc(cccc3)c3n1c(SCC(c1ccccc1)=O)n2)=O)c1)c1OC

InChI

InChI=1S/C33H28N4O4S/c1-40-29-15-12-21(18-30(29)41-2)16-17-34-32(39)23-13-14-24-26(19-23)36-33(42-20-28(38)22-8-4-3-5-9-22)37-27-11-7-6-10-25(27)35-31(24)37/h3-15,18-19H,16-17,20H2,1-2H3,(H,34,39)

InChI Key

TXVBNTQTPOHQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.381

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.62

Polar Surface Area

69.581

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

K250-0171 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K250-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0171?
Check Price and Availability of K250-0171, 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 K250-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0171
  • 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 K250-0171 available by request