V013-1217 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxamide

V013-1217 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxamide
V013-1217 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1217
N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxamide

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

V013-1217

Molecular Formula

C21H17F6N3O (C21 H17 F6 N3 O)

Compound Name

N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxamide

IUPAC name

N-[35-bis(trifluoromethyl)phenyl]-5-methyl-1H2H3H4H5H-pyrido[43-b]indole-2-carboxamide

SMILES

Cn1c(cccc2)c2c(C2)c1CCN2C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O

InChI

InChI=1S/C21H17F6N3O/c1-29-17-5-3-2-4-15(17)16-11-30(7-6-18(16)29)19(31)28-14-9-12(20(22,23)24)8-13(10-14)21(25,26)27/h2-5,8-10H,6-7,11H2,1H3,(H,28,31)

InChI Key

LARBFPOPAPHDFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14289474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.69

Polar Surface Area

27.636

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V013-1217 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 V013-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1217?
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What is the minimum amount of V013-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1217
  • 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 V013-1217 available by request