0238-0031 Screening compound: (2E)-1-(anthracen-9-yl)-3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one

0238-0031 Screening compound: (2E)-1-(anthracen-9-yl)-3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one
0238-0031 Screening compound: (2E)-1-(anthracen-9-yl)-3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0238-0031
(2E)-1-(anthracen-9-yl)-3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-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

0238-0031

Molecular Formula

C38H28N2O (C38 H28 N2 O)

Compound Name

(2E)-1-(anthracen-9-yl)-3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one

IUPAC name

(2E)-1-(anthracen-9-yl)-3-[4-(35-diphenyl-45-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)c1c(cccc2)c2cc2ccccc12

InChI

InChI=1S/C38H28N2O/c41-37(38-33-17-9-7-15-30(33)25-31-16-8-10-18-34(31)38)24-21-27-19-22-32(23-20-27)40-36(29-13-5-2-6-14-29)26-35(39-40)28-11-3-1-4-12-28/h1-25,36H,26H2/t36-/m0/s1

InChI Key

XHTIGFPTVVNHMA-BHVANESWSA-N

MDL Number (MFCD)

MFCD00491114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.630

Distribution Coefficient, logD

9.630

Water Solubility, LogSw

-7.17

Polar Surface Area

26.351

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

0238-0031 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0238-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0238-0031?
Check Price and Availability of 0238-0031, 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 0238-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0238-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0238-0031
  • 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 0238-0031 available by request