V006-1038 Screening compound: ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-7-oxoheptanoate

V006-1038 Screening compound: ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-7-oxoheptanoate
V006-1038 Screening compound: ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-7-oxoheptanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1038
ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-7-oxoheptanoate

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

V006-1038

Molecular Formula

C28H31F3N2O4 (C28 H31 F3 N2 O4)

Compound Name

ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-7-oxoheptanoate

IUPAC name

ethyl 7-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indol-2-yl}-7-oxoheptanoate

SMILES

CCOC(CCCCCC(N(CCc1c2[nH]c(cc3)c1cc3OC)C2c1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C28H31F3N2O4/c1-3-37-25(35)11-6-4-5-10-24(34)33-15-14-21-22-17-20(36-2)12-13-23(22)32-26(21)27(33)18-8-7-9-19(16-18)28(29,30)31/h7-9,12-13,16-17,27,32H,3-6,10-11,14-15H2,1-2H3/t27-/m1/s1

InChI Key

BOXDDFNSLLMOAX-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19942980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.056

Distribution Coefficient, logD

6.056

Water Solubility, LogSw

-5.50

Polar Surface Area

53.518

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V006-1038 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 V006-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1038?
Check Price and Availability of V006-1038, 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 V006-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1038
  • 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 V006-1038 available by request