6147-1268 Screening compound: (2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

6147-1268 Screening compound: (2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
6147-1268 Screening compound: (2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6147-1268
(2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

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

6147-1268

Molecular Formula

C28H17N5O2 (C28 H17 N5 O2)

Compound Name

(2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-34-dihydroquinazolin-2-yl)prop-2-enenitrile

SMILES

N#C/C(/C(N1)=Nc(cccc2)c2C1=O)=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C28H17N5O2/c29-16-19(27-30-23-12-6-5-11-22(23)28(34)31-27)14-20-17-33(21-9-2-1-3-10-21)32-26(20)25-15-18-8-4-7-13-24(18)35-25/h1-15,17H,(H,30,31,34)

InChI Key

YBLBMMHXPKJWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06279791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-5.38

Polar Surface Area

74.873

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6147-1268 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 6147-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6147-1268?
Check Price and Availability of 6147-1268, 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 6147-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6147-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6147-1268
  • 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 6147-1268 available by request