D524-3045 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide

D524-3045 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide
D524-3045 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-3045
N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide

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

D524-3045

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

N-{6-butyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-3-chloro-N-[(thiophen-2-yl)methyl]benzamide

SMILES

CCCCC1=C(C)Nc2nc(N(Cc3cccs3)C(c3cccc(Cl)c3)=O)nn2C1=O

InChI

InChI=1S/C22H22ClN5O2S/c1-3-4-10-18-14(2)24-21-25-22(26-28(21)20(18)30)27(13-17-9-6-11-31-17)19(29)15-7-5-8-16(23)12-15/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,25,26)

InChI Key

KGZQBCYLAZBJAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.67

Polar Surface Area

65.820

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D524-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-3045?
Check Price and Availability of D524-3045, 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 D524-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-3045
  • 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 D524-3045 available by request