V030-5456 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide

V030-5456 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
V030-5456 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5456
N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide

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

V030-5456

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide

IUPAC name

N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N33-trimethylbutanamide

SMILES

CC(C)(C)CC(N(C)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H30ClN3O3/c1-25(2,3)15-23(30)28(4)16-24(31)29-22(18-6-10-19(26)11-7-18)14-21(27-29)17-8-12-20(32-5)13-9-17/h6-13,22H,14-16H2,1-5H3/t22-/m0/s1

InChI Key

GRXJQFIPRLIBLO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19803167

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-6.11

Polar Surface Area

50.297

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V030-5456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5456?
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What is the minimum amount of V030-5456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5456
  • 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 V030-5456 available by request