V018-6905 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

V018-6905 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide
V018-6905 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6905
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

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

V018-6905

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

IUPAC name

N-{2-[5-(2H-13-benzodioxol-5-yl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

SMILES

COCCN(CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c1cccs1)=O)C(C1CCCC1)=O

InChI

InChI=1S/C25H29N3O5S/c1-31-11-10-27(25(30)17-5-2-3-6-17)15-24(29)28-20(14-19(26-28)23-7-4-12-34-23)18-8-9-21-22(13-18)33-16-32-21/h4,7-9,12-13,17,20H,2-3,5-6,10-11,14-16H2,1H3/t20-/m1/s1

InChI Key

OTOHYMUUCYSWLB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19810483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.18

Polar Surface Area

70.083

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V018-6905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6905?
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What is the minimum amount of V018-6905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6905
  • 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 V018-6905 available by request