2037-0014 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

2037-0014 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2037-0014 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2037-0014
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

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

2037-0014

Molecular Formula

C21H16F3N5OS (C21 H16 F3 N5 OS)

Compound Name

2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

C=CCn1c2nc(SCC(Nc3cc(C(F)(F)F)ccc3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C21H16F3N5OS/c1-2-10-29-16-9-4-3-8-15(16)18-19(29)26-20(28-27-18)31-12-17(30)25-14-7-5-6-13(11-14)21(22,23)24/h2-9,11H,1,10,12H2,(H,25,30)

InChI Key

UKRYMXQXHVARPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-5.15

Polar Surface Area

56.106

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2037-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2037-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2037-0014?
Check Price and Availability of 2037-0014, 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 2037-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2037-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2037-0014
  • 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 2037-0014 available by request