V031-1117 Screening compound: 2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-6-methylpyridine

V031-1117 Screening compound: 2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-6-methylpyridine
V031-1117 Screening compound: 2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-6-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1117
2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-6-methylpyridine

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

V031-1117

Molecular Formula

C26H21ClF3N3O2 (C26 H21 ClF3 N3 O2)

Compound Name

2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-6-methylpyridine

IUPAC name

2-chloro-4-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl}-6-methylpyridine

SMILES

Cc1cc(C(N(CCc2c3[nH]c(cc4)c2cc4OC)C3c2cc(C(F)(F)F)ccc2)=O)cc(Cl)n1

InChI

InChI=1S/C26H21ClF3N3O2/c1-14-10-16(12-22(27)31-14)25(34)33-9-8-19-20-13-18(35-2)6-7-21(20)32-23(19)24(33)15-4-3-5-17(11-15)26(28,29)30/h3-7,10-13,24,32H,8-9H2,1-2H3/t24-/m1/s1

InChI Key

OVPWMLVGLQHRRU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19942961

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.126

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-6.37

Polar Surface Area

41.904

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V031-1117 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V031-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1117?
Check Price and Availability of V031-1117, 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 V031-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1117
  • 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 V031-1117 available by request