V022-8958 Screening compound: 1-[5-(2,5-dimethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one

V022-8958 Screening compound: 1-[5-(2,5-dimethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one
V022-8958 Screening compound: 1-[5-(2,5-dimethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8958
1-[5-(2,5-dimethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-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

V022-8958

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

1-[5-(2,5-dimethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one

IUPAC name

1-[5-(25-dimethylphenyl)-3-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one

SMILES

Cc1cc(C(C2)N(C(CN(CC3)CCC33OCCO3)=O)N=C2c2ccccc2)c(C)cc1

InChI

InChI=1S/C26H31N3O3/c1-19-8-9-20(2)22(16-19)24-17-23(21-6-4-3-5-7-21)27-29(24)25(30)18-28-12-10-26(11-13-28)31-14-15-32-26/h3-9,16,24H,10-15,17-18H2,1-2H3/t24-/m0/s1

InChI Key

VGMODMQKDOGVBT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19886150

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.15

Polar Surface Area

45.028

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V022-8958 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-8958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8958?
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What is the minimum amount of V022-8958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8958
  • 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 V022-8958 available by request