C121-0372 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide

C121-0372 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide
C121-0372 Screening compound: 2-({6-[(3-chlorophenyl)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 C121-0372
2-({6-[(3-chlorophenyl)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

C121-0372

Molecular Formula

C22H28ClN5OS (C22 H28 ClN5 OS)

Compound Name

2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N,N-dipropylacetamide

IUPAC name

2-({6-[(3-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CSc1nn2c(C)c(Cc3cccc(Cl)c3)c(C)nc2n1)=O

InChI

InChI=1S/C22H28ClN5OS/c1-5-10-27(11-6-2)20(29)14-30-22-25-21-24-15(3)19(16(4)28(21)26-22)13-17-8-7-9-18(23)12-17/h7-9,12H,5-6,10-11,13-14H2,1-4H3

InChI Key

LFPRDYQQIWBHNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.02

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

4.790

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.83

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

References: we are preparing a list of scientific research reports with C121-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0372?
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What is the minimum amount of C121-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0372
  • 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 C121-0372 available by request