C734-0503 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

C734-0503 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
C734-0503 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0503
2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-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

C734-0503

Molecular Formula

C23H21F3N4O2 (C23 H21 F3 N4 O2)

Compound Name

2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{1H4H-chromeno[43-c]pyrazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(Cn1ncc2c1-c(cccc1)c1OC2)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H21F3N4O2/c24-23(25,26)17-4-3-5-18(12-17)28-8-10-29(11-9-28)21(31)14-30-22-16(13-27-30)15-32-20-7-2-1-6-19(20)22/h1-7,12-13H,8-11,14-15H2

InChI Key

WKUFYGAGTPXMOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.36

Polar Surface Area

41.559

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C734-0503 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 C734-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0503?
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What is the minimum amount of C734-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0503
  • 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 C734-0503 available by request