V002-9128 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V002-9128 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V002-9128 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9128
2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-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

V002-9128

Molecular Formula

C27H19F7N2O2 (C27 H19 F7 N2 O2)

Compound Name

2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c3cc(C(F)(F)F)ccc3)c2CCN1C(c(cc(C(F)(F)F)cc1)c1F)=O

InChI

InChI=1S/C27H19F7N2O2/c1-38-17-6-8-22-19(13-17)18-9-10-36(25(37)20-12-16(27(32,33)34)5-7-21(20)28)24(23(18)35-22)14-3-2-4-15(11-14)26(29,30)31/h2-8,11-13,24,35H,9-10H2,1H3/t24-/m1/s1

InChI Key

NKMGYCVKMYKWOO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19942965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.293

Distribution Coefficient, logD

7.293

Water Solubility, LogSw

-5.97

Polar Surface Area

33.615

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V002-9128 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-9128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9128?
Check Price and Availability of V002-9128, 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 V002-9128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9128
  • 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 V002-9128 available by request