V006-9717 Screening compound: 3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

V006-9717 Screening compound: 3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
V006-9717 Screening compound: 3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9717
3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]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

V006-9717

Molecular Formula

C31H32FN5O6 (C31 H32 FN5 O6)

Compound Name

3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

3-fluoro-N-{2-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

COc1ccc(C(C2)N(C(CN(CCN3CCOCC3)C(c3cccc(F)c3)=O)=O)N=C2c(cc2)ccc2[N+]([O-])=O)cc1

InChI

InChI=1S/C31H32FN5O6/c1-42-27-11-7-23(8-12-27)29-20-28(22-5-9-26(10-6-22)37(40)41)33-36(29)30(38)21-35(14-13-34-15-17-43-18-16-34)31(39)24-3-2-4-25(32)19-24/h2-12,19,29H,13-18,20-21H2,1H3/t29-/m0/s1

InChI Key

GSPZRPYNYXCOSI-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19803263

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

589.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.04

Polar Surface Area

95.593

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V006-9717 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V006-9717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9717?
Check Price and Availability of V006-9717, 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 V006-9717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9717
  • 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 V006-9717 available by request