V001-0853 Screening compound: N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide

V001-0853 Screening compound: N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide
V001-0853 Screening compound: N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0853
N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide

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

V001-0853

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide

IUPAC name

N-benzyl-N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}propanamide

SMILES

CCC(N(Cc(c(C)nn1-c2cccc(Cl)c2)c1Oc(cc1)ccc1OC)Cc1ccccc1)=O

InChI

InChI=1S/C28H28ClN3O3/c1-4-27(33)31(18-21-9-6-5-7-10-21)19-26-20(2)30-32(23-12-8-11-22(29)17-23)28(26)35-25-15-13-24(34-3)14-16-25/h5-17H,4,18-19H2,1-3H3

InChI Key

QAEYPJKRHYZIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-5.97

Polar Surface Area

44.148

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V001-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0853?
Check Price and Availability of V001-0853, 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 V001-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0853
  • 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 V001-0853 available by request