D439-6263 Screening compound: N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-phenoxypropanamide

D439-6263 Screening compound: N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-phenoxypropanamide
D439-6263 Screening compound: N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-6263
N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-phenoxypropanamide

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

D439-6263

Molecular Formula

C24H25N5O3S (C24 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C=NC1=NC(CSc(cccc2)c2NC(C(C)Oc2ccccc2)=O)=C2)N1C2=O

InChI

InChI=1S/C24H25N5O3S/c1-3-13-28-16-25-24-26-18(14-22(30)29(24)28)15-33-21-12-8-7-11-20(21)27-23(31)17(2)32-19-9-5-4-6-10-19/h4-12,14,16-17H,3,13,15H2,1-2H3,(H,27,31)/t17-/m0/s1

InChI Key

HTEMGHLJTBOPKX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14829053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.41

Polar Surface Area

69.678

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D439-6263 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D439-6263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6263?
Check Price and Availability of D439-6263, 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 D439-6263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6263
  • 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 D439-6263 available by request