C999-0698 Screening compound: N-cyclohexyl-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C999-0698 Screening compound: N-cyclohexyl-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
C999-0698 Screening compound: N-cyclohexyl-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0698
N-cyclohexyl-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

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

C999-0698

Molecular Formula

C22H25Cl2N5O (C22 H25 Cl2 N5 O)

Compound Name

N-cyclohexyl-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

IUPAC name

N-cyclohexyl-3-[2-(24-dichlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]propanamide

SMILES

Cc1c(CCC(NC2CCCCC2)=O)c(C)nc2nc(-c(ccc(Cl)c3)c3Cl)nn12

InChI

InChI=1S/C22H25Cl2N5O/c1-13-17(10-11-20(30)26-16-6-4-3-5-7-16)14(2)29-22(25-13)27-21(28-29)18-9-8-15(23)12-19(18)24/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,26,30)

InChI Key

OTTPLWHHNACHPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.94

Polar Surface Area

55.030

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C999-0698 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C999-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0698?
Check Price and Availability of C999-0698, 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 C999-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0698
  • 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 C999-0698 available by request