V009-6776 Screening compound: 6-methoxy-2-(2,4,6-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V009-6776 Screening compound: 6-methoxy-2-(2,4,6-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V009-6776 Screening compound: 6-methoxy-2-(2,4,6-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6776
6-methoxy-2-(2,4,6-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

V009-6776

Molecular Formula

C30H20F6N2O3 (C30 H20 F6 N2 O3)

Compound Name

6-methoxy-2-(2,4,6-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

6-methoxy-2-(246-trifluorobenzoyl)-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c3ccc(-c4c(C(F)(F)F)cccc4)o3)c2CCN1C(c(c(F)cc(F)c1)c1F)=O

InChI

InChI=1S/C30H20F6N2O3/c1-40-16-6-7-23-19(14-16)17-10-11-38(29(39)26-21(32)12-15(31)13-22(26)33)28(27(17)37-23)25-9-8-24(41-25)18-4-2-3-5-20(18)30(34,35)36/h2-9,12-14,28,37H,10-11H2,1H3/t28-/m0/s1

InChI Key

OXPXQYDHONWSGY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19965635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.183

Distribution Coefficient, logD

7.183

Water Solubility, LogSw

-5.89

Polar Surface Area

42.015

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

V009-6776 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-6776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6776?
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What is the minimum amount of V009-6776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6776
  • 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 V009-6776 available by request