F149-0948 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

F149-0948 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
F149-0948 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F149-0948
N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-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

F149-0948

Molecular Formula

C17H25N7O2S (C17 H25 N7 O2 S)

Compound Name

N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

IUPAC name

N-[2-(4-methylpiperazin-1-yl)ethyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[134]thiadiazolo[32-a]pyrimidine-5-carboxamide

SMILES

CN1CCN(CCNC(C(N2N=C(N3CCCC3)SC2=N2)=CC2=O)=O)CC1

InChI

InChI=1S/C17H25N7O2S/c1-21-8-10-22(11-9-21)7-4-18-15(26)13-12-14(25)19-16-24(13)20-17(27-16)23-5-2-3-6-23/h12H,2-11H2,1H3,(H,18,26)

InChI Key

HPATVSCKIGGIHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.058

Distribution Coefficient, logD

-0.726

Water Solubility, LogSw

-1.67

Polar Surface Area

73.093

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

F149-0948 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F149-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F149-0948?
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What is the minimum amount of F149-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F149-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F149-0948
  • 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 F149-0948 available by request