F149-0496 Screening compound: 2-(1-azepanyl)-N-benzyl-N-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

F149-0496 Screening compound: 2-(1-azepanyl)-N-benzyl-N-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
F149-0496 Screening compound: 2-(1-azepanyl)-N-benzyl-N-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F149-0496
2-(1-azepanyl)-N-benzyl-N-methyl-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

F149-0496

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(C(N1N=C(N2CCCCCC2)SC1=N1)=CC1=O)=O

InChI

InChI=1S/C20H23N5O2S/c1-23(14-15-9-5-4-6-10-15)18(27)16-13-17(26)21-19-25(16)22-20(28-19)24-11-7-2-3-8-12-24/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3

InChI Key

QUPPGCYEVGUJJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.25

Polar Surface Area

57.495

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F149-0496 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F149-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F149-0496?
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What is the minimum amount of F149-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F149-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F149-0496
  • 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 F149-0496 available by request