C679-6516 Screening compound: 2-ethyl-N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

C679-6516 Screening compound: 2-ethyl-N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]butanamide
C679-6516 Screening compound: 2-ethyl-N-[3-({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 C679-6516
2-ethyl-N-[3-({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

C679-6516

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

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

IUPAC name

2-ethyl-N-[3-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]butanamide

SMILES

CCCC(SC1=NC(COc2cc(NC(C(CC)CC)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C21H26N4O3S/c1-4-8-18-24-25-19(26)12-16(23-21(25)29-18)13-28-17-10-7-9-15(11-17)22-20(27)14(5-2)6-3/h7,9-12,14H,4-6,8,13H2,1-3H3,(H,22,27)

InChI Key

ALBPFEFTRNRNSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782153

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

4.081

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.16

Polar Surface Area

69.036

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C679-6516 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C679-6516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6516?
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What is the minimum amount of C679-6516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6516
  • 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 C679-6516 available by request