V017-1031 Screening compound: 1-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one

V017-1031 Screening compound: 1-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one
V017-1031 Screening compound: 1-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-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 V017-1031
1-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-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

V017-1031

Molecular Formula

C26H30ClN3O5 (C26 H30 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(C(C2)N(C(CN(CC3)CCC33OCCO3)=O)N=C2c(cccc2)c2Cl)c1OC

InChI

InChI=1S/C26H30ClN3O5/c1-32-18-7-8-24(33-2)20(15-18)23-16-22(19-5-3-4-6-21(19)27)28-30(23)25(31)17-29-11-9-26(10-12-29)34-13-14-35-26/h3-8,15,23H,9-14,16-17H2,1-2H3/t23-/m1/s1

InChI Key

PSXSKZCTSUPRMV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19886015

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-4.27

Polar Surface Area

60.202

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V017-1031 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 V017-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1031?
Check Price and Availability of V017-1031, 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 V017-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1031
  • 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 V017-1031 available by request