K035-0013 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione

K035-0013 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione
K035-0013 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K035-0013
1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione

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

K035-0013

Molecular Formula

C17H9F6NO2 (C17 H9 F6 NO2)

Compound Name

1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

1-{[35-bis(trifluoromethyl)phenyl]methyl}-23-dihydro-1H-indole-23-dione

SMILES

O=C(c(cccc1)c1N1Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C17H9F6NO2/c18-16(19,20)10-5-9(6-11(7-10)17(21,22)23)8-24-13-4-2-1-3-12(13)14(25)15(24)26/h1-7H,8H2

InChI Key

RHNCXPMGKCYCMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.53

Polar Surface Area

28.854

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K035-0013 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K035-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K035-0013?
Check Price and Availability of K035-0013, 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 K035-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K035-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K035-0013
  • 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 K035-0013 available by request