C999-0737 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one

C999-0737 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one
C999-0737 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0737
3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one

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

C999-0737

Molecular Formula

C20H21Cl2N5O2 (C20 H21 Cl2 N5 O2)

Compound Name

3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one

IUPAC name

3-[2-(24-dichlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-1-(morpholin-4-yl)propan-1-one

SMILES

Cc1c(CCC(N2CCOCC2)=O)c(C)nc2nc(-c(ccc(Cl)c3)c3Cl)nn12

InChI

InChI=1S/C20H21Cl2N5O2/c1-12-15(5-6-18(28)26-7-9-29-10-8-26)13(2)27-20(23-12)24-19(25-27)16-4-3-14(21)11-17(16)22/h3-4,11H,5-10H2,1-2H3

InChI Key

XRMGHPGXOFWCMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.66

Polar Surface Area

55.134

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C999-0737 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

PI3K-Targeted Library (17255 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C999-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0737?
Check Price and Availability of C999-0737, 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 C999-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0737
  • 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 C999-0737 available by request