K505-0175 Screening compound: 3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-3,4-dihydroquinazolin-4-one

K505-0175 Screening compound: 3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-3,4-dihydroquinazolin-4-one
K505-0175 Screening compound: 3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0175
3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-3,4-dihydroquinazolin-4-one

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

K505-0175

Molecular Formula

C24H17N3O5 (C24 H17 N3 O5)

Compound Name

3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-methylphenyl)-2-[(1E)-2-(6-nitro-2H-13-benzodioxol-5-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

Cc(cc1)ccc1N(C(/C=C/c(cc1OCOc1c1)c1[N+]([O-])=O)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C24H17N3O5/c1-15-6-9-17(10-7-15)26-23(25-19-5-3-2-4-18(19)24(26)28)11-8-16-12-21-22(32-14-31-21)13-20(16)27(29)30/h2-13H,14H2,1H3

InChI Key

YCPSHERFGBWUNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.40

Polar Surface Area

74.790

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K505-0175 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K505-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0175?
Check Price and Availability of K505-0175, 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 K505-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0175
  • 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 K505-0175 available by request