C121-0669 Screening compound: 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide

C121-0669 Screening compound: 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide
C121-0669 Screening compound: 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0669
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide

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

C121-0669

Molecular Formula

C22H27ClFN5OS (C22 H27 ClFN5 OS)

Compound Name

2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide

IUPAC name

2-({6-[(2-chloro-4-fluorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CSc1nn2c(C)c(Cc(ccc(F)c3)c3Cl)c(C)nc2n1)=O

InChI

InChI=1S/C22H27ClFN5OS/c1-5-9-28(10-6-2)20(30)13-31-22-26-21-25-14(3)18(15(4)29(21)27-22)11-16-7-8-17(24)12-19(16)23/h7-8,12H,5-6,9-11,13H2,1-4H3

InChI Key

IKQBTPYZCIAMET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.017

Water Solubility, LogSw

-5.18

Polar Surface Area

45.738

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C121-0669 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C121-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0669?
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What is the minimum amount of C121-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0669
  • 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 C121-0669 available by request