V017-0940 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide

V017-0940 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide
V017-0940 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0940
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide

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

V017-0940

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 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}cyclobutanecarboxamide

IUPAC name

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

SMILES

O=C(CNC(C1CCC1)=O)N(C(C1)c(cc2)cc3c2OCO3)N=C1c1cccs1

InChI

InChI=1S/C21H21N3O4S/c25-20(11-22-21(26)13-3-1-4-13)24-16(10-15(23-24)19-5-2-8-29-19)14-6-7-17-18(9-14)28-12-27-17/h2,5-9,13,16H,1,3-4,10-12H2,(H,22,26)/t16-/m1/s1

InChI Key

BDUPYNRJJGXYRP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19801951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.22

Polar Surface Area

69.929

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V017-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0940?
Check Price and Availability of V017-0940, 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 V017-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0940
  • 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 V017-0940 available by request