C679-6573 Screening compound: 2-ethyl-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

C679-6573 Screening compound: 2-ethyl-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide
C679-6573 Screening compound: 2-ethyl-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6573
2-ethyl-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

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

C679-6573

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

2-ethyl-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

IUPAC name

2-ethyl-N-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NC(C(CC)CC)=O)=C2)=NN1C2=O

InChI

InChI=1S/C21H26N4O3S/c1-4-7-18-24-25-19(26)12-16(23-21(25)29-18)13-28-17-10-8-15(9-11-17)22-20(27)14(5-2)6-3/h8-12,14H,4-7,13H2,1-3H3,(H,22,27)

InChI Key

OKWJBAAFWFXPEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-3.99

Polar Surface Area

69.036

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C679-6573 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C679-6573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6573?
Check Price and Availability of C679-6573, 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 C679-6573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6573
  • 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 C679-6573 available by request