8011-9236 Screening compound: 6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

8011-9236 Screening compound: 6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
8011-9236 Screening compound: 6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9236
6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

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

8011-9236

Molecular Formula

C18H19ClF3N5 (C18 H19 ClF3 N5)

Compound Name

6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-chloro-N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-135-triazine-24-diamine

SMILES

FC(c1cccc(Nc2nc(NCCC3=CCCCC3)nc(Cl)n2)c1)(F)F

InChI

InChI=1S/C18H19ClF3N5/c19-15-25-16(23-10-9-12-5-2-1-3-6-12)27-17(26-15)24-14-8-4-7-13(11-14)18(20,21)22/h4-5,7-8,11H,1-3,6,9-10H2,(H2,23,24,25,26,27)

InChI Key

ZXUOUVLCOJWZGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02617225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.201

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-6.73

Polar Surface Area

51.288

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8011-9236 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9236?
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What is the minimum amount of 8011-9236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9236
  • 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 8011-9236 available by request