D205-0357 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}cyclohexanecarboxamide

D205-0357 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}cyclohexanecarboxamide
D205-0357 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0357
N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}cyclohexanecarboxamide

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

D205-0357

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}cyclohexanecarboxamide

IUPAC name

N-{6-benzyl-7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-2-yl}cyclohexanecarboxamide

SMILES

Cc1nc2nc(NC(C3CCCCC3)=O)nn2c(O)c1Cc1ccccc1

InChI

InChI=1S/C20H23N5O2/c1-13-16(12-14-8-4-2-5-9-14)18(27)25-20(21-13)23-19(24-25)22-17(26)15-10-6-3-7-11-15/h2,4-5,8-9,15,27H,3,6-7,10-12H2,1H3,(H,22,24,26)

InChI Key

TXONGEHPHVZAKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07795994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-3.29

Polar Surface Area

70.954

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D205-0357 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D205-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0357?
Check Price and Availability of D205-0357, 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 D205-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0357
  • 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 D205-0357 available by request