D439-6116 Screening compound: 4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

D439-6116 Screening compound: 4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
D439-6116 Screening compound: 4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-6116
4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

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

D439-6116

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

IUPAC name

4-methyl-N-[2-({[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

SMILES

CC(C)N(C=NC1=NC(CSc(cccc2)c2NC(c2ccc(C)cc2)=O)=C2)N1C2=O

InChI

InChI=1S/C23H23N5O2S/c1-15(2)27-14-24-23-25-18(12-21(29)28(23)27)13-31-20-7-5-4-6-19(20)26-22(30)17-10-8-16(3)9-11-17/h4-12,14-15H,13H2,1-3H3,(H,26,30)

InChI Key

AHPRJPDFGKFZBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.43

Polar Surface Area

64.570

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D439-6116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6116?
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What is the minimum amount of D439-6116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6116
  • 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 D439-6116 available by request