C179-0938 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide

C179-0938 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide
C179-0938 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0938
2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide

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

C179-0938

Molecular Formula

C20H25N5OS (C20 H25 N5 OS)

Compound Name

2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide

IUPAC name

2-({6-benzyl-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-butylacetamide

SMILES

CCCCNC(CSc1nn2c(C)c(Cc3ccccc3)c(C)nc2n1)=O

InChI

InChI=1S/C20H25N5OS/c1-4-5-11-21-18(26)13-27-20-23-19-22-14(2)17(15(3)25(19)24-20)12-16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H,21,26)

InChI Key

SROFJEZDKIHFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

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

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.69

Polar Surface Area

54.139

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C179-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0938?
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What is the minimum amount of C179-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0938
  • 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 C179-0938 available by request