V031-2202 Screening compound: N,3,3-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethyl}butanamide

V031-2202 Screening compound: N,3,3-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethyl}butanamide
V031-2202 Screening compound: N,3,3-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2202
N,3,3-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethyl}butanamide

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

V031-2202

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

N,3,3-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethyl}butanamide

IUPAC name

N33-trimethyl-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]ethyl}butanamide

SMILES

CC(C)(C)CC(N(C)CC(N(C(C1)c2ccccc2)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C22H27N3O2S/c1-22(2,3)14-20(26)24(4)15-21(27)25-18(16-9-6-5-7-10-16)13-17(23-25)19-11-8-12-28-19/h5-12,18H,13-15H2,1-4H3/t18-/m1/s1

InChI Key

ITBRQFREUJWMGD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19800718

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.31

Polar Surface Area

43.772

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V031-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2202?
Check Price and Availability of V031-2202, 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 V031-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2202
  • 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 V031-2202 available by request