D245-0593 Screening compound: 2-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol

D245-0593 Screening compound: 2-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol
D245-0593 Screening compound: 2-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0593
2-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol

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

D245-0593

Molecular Formula

C17H20ClN5O2 (C17 H20 ClN5 O2)

Compound Name

2-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol

IUPAC name

2-({2-[(4-chlorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol

SMILES

Cc1nc2nc(Cc(cc3)ccc3Cl)nn2c(N(CCO)CCO)c1

InChI

InChI=1S/C17H20ClN5O2/c1-12-10-16(22(6-8-24)7-9-25)23-17(19-12)20-15(21-23)11-13-2-4-14(18)5-3-13/h2-5,10,24-25H,6-9,11H2,1H3

InChI Key

BHTQYSWHLXQCIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.192

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.52

Polar Surface Area

67.210

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D245-0593 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Purinergic Library (3321 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D245-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0593?
Check Price and Availability of D245-0593, 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 D245-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0593
  • 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 D245-0593 available by request