F145-0491 Screening compound: N~1~-(3,4-dimethoxyphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

F145-0491 Screening compound: N~1~-(3,4-dimethoxyphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
F145-0491 Screening compound: N~1~-(3,4-dimethoxyphenyl)-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 F145-0491
N~1~-(3,4-dimethoxyphenyl)-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

F145-0491

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)-3-{3-oxo-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-5-yl}propanamide

SMILES

COc(ccc(NC(CCC(N1)=Nc(sc2c3CCCCC2)c3C1=O)=O)c1)c1OC

InChI

InChI=1S/C22H25N3O4S/c1-28-15-9-8-13(12-16(15)29-2)23-19(26)11-10-18-24-21(27)20-14-6-4-3-5-7-17(14)30-22(20)25-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,23,26)(H,24,25,27)

InChI Key

LGCLIWWFXDXERT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.73

Polar Surface Area

73.465

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F145-0491 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F145-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0491?
Check Price and Availability of F145-0491, 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 F145-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0491
  • 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 F145-0491 available by request