D439-6634 Screening compound: N-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide

D439-6634 Screening compound: N-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide
D439-6634 Screening compound: N-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-6634
N-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide

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

D439-6634

Molecular Formula

C20H25N5O2S (C20 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(cc1)ccc1SCC(N=C1N=CN(C(C)C)N11)=CC1=O)=O

InChI

InChI=1S/C20H25N5O2S/c1-4-5-6-18(26)22-15-7-9-17(10-8-15)28-12-16-11-19(27)25-20(23-16)21-13-24(25)14(2)3/h7-11,13-14H,4-6,12H2,1-3H3,(H,22,26)

InChI Key

BXRBHRBOLSUJSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.90

Polar Surface Area

65.326

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D439-6634 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D439-6634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6634?
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What is the minimum amount of D439-6634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6634
  • 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 D439-6634 available by request