K236-0085 Screening compound: 5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

K236-0085 Screening compound: 5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
K236-0085 Screening compound: 5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K236-0085
5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-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

K236-0085

Molecular Formula

C22H18F6N10O2 (C22 H18 F6 N10 O2)

Compound Name

5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-[2-({5-amino-1-[3-(trifluoromethyl)phenyl]-1H-123-triazol-4-yl}formamido)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Nc1c(C(NCCNC(c2c(N)n(-c3cccc(C(F)(F)F)c3)nn2)=O)=O)nnn1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H18F6N10O2/c23-21(24,25)11-3-1-5-13(9-11)37-17(29)15(33-35-37)19(39)31-7-8-32-20(40)16-18(30)38(36-34-16)14-6-2-4-12(10-14)22(26,27)28/h1-6,9-10H,7-8,29-30H2,(H,31,39)(H,32,40)

InChI Key

BFEVHGDPZVCWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-2.02

Polar Surface Area

141.208

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K236-0085 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K236-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K236-0085?
Check Price and Availability of K236-0085, 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 K236-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K236-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K236-0085
  • 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 K236-0085 available by request