C121-0440 Screening compound: 2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

C121-0440 Screening compound: 2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
C121-0440 Screening compound: 2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0440
2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

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

C121-0440

Molecular Formula

C26H29N5OS (C26 H29 N5 OS)

Compound Name

2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

IUPAC name

2-({6-[(25-dimethylphenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

SMILES

Cc1cc(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCCc2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C26H29N5OS/c1-17-10-11-18(2)22(14-17)15-23-19(3)28-25-29-26(30-31(25)20(23)4)33-16-24(32)27-13-12-21-8-6-5-7-9-21/h5-11,14H,12-13,15-16H2,1-4H3,(H,27,32)

InChI Key

UEILYDDJZIICKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.50

Polar Surface Area

53.868

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C121-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0440?
Check Price and Availability of C121-0440, 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 C121-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0440
  • 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 C121-0440 available by request