D458-0503 Screening compound: ethyl 4-{2-[5,7-dimethyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate

D458-0503 Screening compound: ethyl 4-{2-[5,7-dimethyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
D458-0503 Screening compound: ethyl 4-{2-[5,7-dimethyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0503
ethyl 4-{2-[5,7-dimethyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate

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

D458-0503

Molecular Formula

C20H24N6O3S (C20 H24 N6 O3 S)

Compound Name

ethyl 4-{2-[5,7-dimethyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[57-dimethyl-2-(thiophen-2-yl)-[124]triazolo[15-a]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(Cc1c(C)n2nc(-c3cccs3)nc2nc1C)=O)=O

InChI

InChI=1S/C20H24N6O3S/c1-4-29-20(28)25-9-7-24(8-10-25)17(27)12-15-13(2)21-19-22-18(16-6-5-11-30-16)23-26(19)14(15)3/h5-6,11H,4,7-10,12H2,1-3H3

InChI Key

LLKGHFMMTAUUKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.39

Polar Surface Area

71.024

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D458-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0503?
Check Price and Availability of D458-0503, 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 D458-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0503
  • 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 D458-0503 available by request