D524-2804 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide

D524-2804 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide
D524-2804 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-2804
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide

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

D524-2804

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

N-{6-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide

SMILES

CCC(N(Cc1cccs1)c(nc1NC(C)=C2Cc3ccccc3)nn1C2=O)=O

InChI

InChI=1S/C21H21N5O2S/c1-3-18(27)25(13-16-10-7-11-29-16)21-23-20-22-14(2)17(19(28)26(20)24-21)12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,23,24)

InChI Key

JKQFFTIVNFNDJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-3.87

Polar Surface Area

65.292

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D524-2804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-2804?
Check Price and Availability of D524-2804, 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 D524-2804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-2804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-2804
  • 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 D524-2804 available by request