V006-6457 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide

V006-6457 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide
V006-6457 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6457
N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide

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

V006-6457

Molecular Formula

C32H34FN3O3 (C32 H34 FN3 O3)

Compound Name

N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-4-methyl-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CCc(c(CN(CC1OCCC1)C(c1ccc(C)cc1)=O)c1Oc2cc(C)ccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C32H34FN3O3/c1-4-30-29(21-35(20-28-9-6-18-38-28)31(37)24-12-10-22(2)11-13-24)32(39-27-8-5-7-23(3)19-27)36(34-30)26-16-14-25(33)15-17-26/h5,7-8,10-17,19,28H,4,6,9,18,20-21H2,1-3H3

InChI Key

CINRZVHADWQNPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19813800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

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

6.342

Distribution Coefficient, logD

6.342

Water Solubility, LogSw

-5.49

Polar Surface Area

46.203

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

V006-6457 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-6457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6457?
Check Price and Availability of V006-6457, 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 V006-6457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6457
  • 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 V006-6457 available by request