V023-5683 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethylbutanamide

V023-5683 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethylbutanamide
V023-5683 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5683
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethylbutanamide

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

V023-5683

Molecular Formula

C22H25N3O4S (C22 H25 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}-3,3-dimethylbutanamide

IUPAC name

N-{2-[5-(2H-13-benzodioxol-5-yl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-33-dimethylbutanamide

SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)11-20(26)23-12-21(27)25-16(10-15(24-25)19-5-4-8-30-19)14-6-7-17-18(9-14)29-13-28-17/h4-9,16H,10-13H2,1-3H3,(H,23,26)/t16-/m1/s1

InChI Key

QTKDNATZGBSTEF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19801859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.39

Polar Surface Area

69.464

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V023-5683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5683?
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What is the minimum amount of V023-5683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5683
  • 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 V023-5683 available by request