C368-0772 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,2,3-triazole-4-carboxamide

C368-0772 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,2,3-triazole-4-carboxamide
C368-0772 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0772
5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-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

C368-0772

Molecular Formula

C25H32N6O4 (C25 H32 N6 O4)

Compound Name

5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-[2-(34-diethoxyphenyl)ethyl]-1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-123-triazole-4-carboxamide

SMILES

CCOc(ccc(CCNC(c1c(N)n(CC(NCc2ccc(C)cc2)=O)nn1)=O)c1)c1OCC

InChI

InChI=1S/C25H32N6O4/c1-4-34-20-11-10-18(14-21(20)35-5-2)12-13-27-25(33)23-24(26)31(30-29-23)16-22(32)28-15-19-8-6-17(3)7-9-19/h6-11,14H,4-5,12-13,15-16,26H2,1-3H3,(H,27,33)(H,28,32)

InChI Key

LKLPNQIOQBMHBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.223

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-2.28

Polar Surface Area

109.343

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C368-0772 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 C368-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0772?
Check Price and Availability of C368-0772, 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 C368-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0772
  • 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 C368-0772 available by request