V006-9680 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

V006-9680 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide
V006-9680 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9680
N-{2-[5-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)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

V006-9680

Molecular Formula

C29H29F2N3O5 (C29 H29 F2 N3 O5)

Compound Name

N-{2-[5-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

IUPAC name

N-{2-[5-(25-dimethoxyphenyl)-3-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

SMILES

COCCN(CC(N(C(C1)c(cc(cc2)OC)c2OC)N=C1c(cccc1)c1F)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C29H29F2N3O5/c1-37-14-13-33(29(36)19-7-6-8-20(30)15-19)18-28(35)34-26(23-16-21(38-2)11-12-27(23)39-3)17-25(32-34)22-9-4-5-10-24(22)31/h4-12,15-16,26H,13-14,17-18H2,1-3H3/t26-/m1/s1

InChI Key

OLLSVSZFMJOEPD-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19806228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.38

Polar Surface Area

66.565

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with V006-9680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9680?
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What is the minimum amount of V006-9680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9680
  • 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 V006-9680 available by request