V006-9481 Screening compound: 3-(1-BENZYL-5-NITRO-1H-INDOL-3-YL)-3-(4-FLUOROPHENYL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE

V006-9481 Screening compound: 3-(1-BENZYL-5-NITRO-1H-INDOL-3-YL)-3-(4-FLUOROPHENYL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE
V006-9481 Screening compound: 3-(1-BENZYL-5-NITRO-1H-INDOL-3-YL)-3-(4-FLUOROPHENYL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9481
3-(1-BENZYL-5-NITRO-1H-INDOL-3-YL)-3-(4-FLUOROPHENYL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE

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

V006-9481

Molecular Formula

C28H26FN3O4 (C28 H26 FN3 O4)

Compound Name

3-(1-BENZYL-5-NITRO-1H-INDOL-3-YL)-3-(4-FLUOROPHENYL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)cc2c1n(Cc1ccccc1)cc2C(CC(N1CCOCC1)=O)c(cc1)ccc1F)=O

InChI

InChI=1S/C28H26FN3O4/c29-22-8-6-21(7-9-22)24(17-28(33)30-12-14-36-15-13-30)26-19-31(18-20-4-2-1-3-5-20)27-11-10-23(32(34)35)16-25(26)27/h1-11,16,19,24H,12-15,17-18H2/t24-/m1/s1

InChI Key

CACCCRDKNGGKQW-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19848848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.49

Polar Surface Area

59.110

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

V006-9481 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-9481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9481?
Check Price and Availability of V006-9481, 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 V006-9481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9481
  • 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 V006-9481 available by request