C679-4111 Screening compound: N-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenylbutanamide

C679-4111 Screening compound: N-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenylbutanamide
C679-4111 Screening compound: N-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4111
N-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenylbutanamide

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

C679-4111

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1OCC(N=C1SC(C)=NN11)=CC1=O)=O)c1ccccc1

InChI

InChI=1S/C23H22N4O3S/c1-3-20(16-7-5-4-6-8-16)22(29)24-17-9-11-19(12-10-17)30-14-18-13-21(28)27-23(25-18)31-15(2)26-27/h4-13,20H,3,14H2,1-2H3,(H,24,29)/t20-/m1/s1

InChI Key

LUFWOWNTISSJGJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14781677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.02

Polar Surface Area

68.034

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C679-4111 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C679-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4111?
Check Price and Availability of C679-4111, 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 C679-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4111
  • 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 C679-4111 available by request