F145-0546 Screening compound: N~1~-cyclopropyl-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

F145-0546 Screening compound: N~1~-cyclopropyl-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
F145-0546 Screening compound: N~1~-cyclopropyl-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0546
N~1~-cyclopropyl-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

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

F145-0546

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

N~1~-cyclopropyl-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

IUPAC name

N-cyclopropyl-3-{3-oxo-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-5-yl}propanamide

SMILES

O=C(CCC(N1)=Nc(sc2c3CCCCC2)c3C1=O)NC1CC1

InChI

InChI=1S/C17H21N3O2S/c21-14(18-10-6-7-10)9-8-13-19-16(22)15-11-4-2-1-3-5-12(11)23-17(15)20-13/h10H,1-9H2,(H,18,21)(H,19,20,22)

InChI Key

NRLBYRJKGQJRJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-2.81

Polar Surface Area

59.582

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

F145-0546 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F145-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0546?
Check Price and Availability of F145-0546, 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 F145-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0546
  • 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 F145-0546 available by request