D439-6169 Screening compound: 3,4-dimethoxy-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

D439-6169 Screening compound: 3,4-dimethoxy-N-[2-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
D439-6169 Screening compound: 3,4-dimethoxy-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 D439-6169
3,4-dimethoxy-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

D439-6169

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

3,4-dimethoxy-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

34-dimethoxy-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(c(cc2)cc(OC)c2OC)=O)=C2)N1C2=O

InChI

InChI=1S/C24H25N5O4S/c1-15(2)28-14-25-24-26-17(12-22(30)29(24)28)13-34-21-8-6-5-7-18(21)27-23(31)16-9-10-19(32-3)20(11-16)33-4/h5-12,14-15H,13H2,1-4H3,(H,27,31)

InChI Key

NDDCPKFDXQKOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.93

Polar Surface Area

79.831

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D439-6169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6169?
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What is the minimum amount of D439-6169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6169
  • 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 D439-6169 available by request