K001-0158 Screening compound: 2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline

K001-0158 Screening compound: 2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline
K001-0158 Screening compound: 2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K001-0158
2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline

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

K001-0158

Molecular Formula

C22H15ClN4O2 (C22 H15 ClN4 O2)

Compound Name

2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline

IUPAC name

2-[(2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-6-chloro-4-phenylquinazoline

SMILES

Clc1cc2c(-c3ccccc3)nc(N/N=C/c(cc3)cc4c3OCO4)nc2cc1

InChI

InChI=1S/C22H15ClN4O2/c23-16-7-8-18-17(11-16)21(15-4-2-1-3-5-15)26-22(25-18)27-24-12-14-6-9-19-20(10-14)29-13-28-19/h1-12H,13H2,(H,25,26,27)

InChI Key

DQJAJWGJRWBVNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00630875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-6.52

Polar Surface Area

58.410

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K001-0158 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K001-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K001-0158?
Check Price and Availability of K001-0158, 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 K001-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K001-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K001-0158
  • 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 K001-0158 available by request