J033-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

J033-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
J033-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0203
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

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

J033-0203

Molecular Formula

C19H17N5O2S (C19 H17 N5 O2 S)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

SMILES

Oc1nc(SCC(NCCc2nc(cccc3)c3[nH]2)=O)nc2ccccc12

InChI

InChI=1S/C19H17N5O2S/c25-17(20-10-9-16-21-14-7-3-4-8-15(14)22-16)11-27-19-23-13-6-2-1-5-12(13)18(26)24-19/h1-8H,9-11H2,(H,20,25)(H,21,22)(H,23,24,26)

InChI Key

SDVKWLHBCPEBEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.227

Water Solubility, LogSw

-2.64

Polar Surface Area

78.530

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J033-0203 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J033-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0203?
Check Price and Availability of J033-0203, 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 J033-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0203
  • 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 J033-0203 available by request