F149-0778 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

F149-0778 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
F149-0778 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F149-0778
N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

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

F149-0778

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[134]thiadiazolo[32-a]pyrimidine-5-carboxamide

SMILES

CCOc1c(CNC(C(N2N=C(N3CC(C)CCC3)SC2=N2)=CC2=O)=O)cccc1

InChI

InChI=1S/C21H25N5O3S/c1-3-29-17-9-5-4-8-15(17)12-22-19(28)16-11-18(27)23-20-26(16)24-21(30-20)25-10-6-7-14(2)13-25/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,22,28)/t14-/m0/s1

InChI Key

PSDXNWWQPFWYIL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27105227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.44

Polar Surface Area

72.570

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with F149-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F149-0778?
Check Price and Availability of F149-0778, 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 F149-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F149-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F149-0778
  • 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 F149-0778 available by request