V006-1414 Screening compound: 1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}undecan-1-one

V006-1414 Screening compound: 1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}undecan-1-one
V006-1414 Screening compound: 1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}undecan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1414
1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}undecan-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

V006-1414

Molecular Formula

C30H37F3N2O2 (C30 H37 F3 N2 O2)

Compound Name

1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}undecan-1-one

IUPAC name

1-{6-methoxy-1-[4-(trifluoromethyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indol-2-yl}undecan-1-one

SMILES

CCCCCCCCCCC(N(CCc1c2[nH]c(cc3)c1cc3OC)C2c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C30H37F3N2O2/c1-3-4-5-6-7-8-9-10-11-27(36)35-19-18-24-25-20-23(37-2)16-17-26(25)34-28(24)29(35)21-12-14-22(15-13-21)30(31,32)33/h12-17,20,29,34H,3-11,18-19H2,1-2H3/t29-/m1/s1

InChI Key

DADZHNJOOLWQEJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19965555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.118

Distribution Coefficient, logD

9.118

Water Solubility, LogSw

-5.80

Polar Surface Area

33.359

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V006-1414 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 V006-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1414?
Check Price and Availability of V006-1414, 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 V006-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1414
  • 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 V006-1414 available by request