1485-0098 Screening compound: (2E)-3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

1485-0098 Screening compound: (2E)-3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
1485-0098 Screening compound: (2E)-3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1485-0098
(2E)-3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)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

1485-0098

Molecular Formula

C25H21ClN2O2 (C25 H21 ClN2 O2)

Compound Name

(2E)-3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-{4-[3-(4-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

SMILES

COc(cc1)ccc1C(/C=C/c(cc1)ccc1N(CC1)N=C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H21ClN2O2/c1-30-23-13-7-20(8-14-23)25(29)15-4-18-2-11-22(12-3-18)28-17-16-24(27-28)19-5-9-21(26)10-6-19/h2-15H,16-17H2,1H3

InChI Key

IXZNAYHDLGJTCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.935

Distribution Coefficient, logD

5.932

Water Solubility, LogSw

-6.42

Polar Surface Area

35.722

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

1485-0098 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1485-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1485-0098?
Check Price and Availability of 1485-0098, 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 1485-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1485-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1485-0098
  • 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 1485-0098 available by request