F145-0596 Screening compound: N~1~-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

F145-0596 Screening compound: N~1~-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
F145-0596 Screening compound: N~1~-(3-chloro-4-methylphenyl)-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 F145-0596
N~1~-(3-chloro-4-methylphenyl)-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

F145-0596

Molecular Formula

C21H22ClN3O2S (C21 H22 ClN3 O2 S)

Compound Name

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

SMILES

Cc(ccc(NC(CCC(N1)=Nc(sc2c3CCCCC2)c3C1=O)=O)c1)c1Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-12-7-8-13(11-15(12)22)23-18(26)10-9-17-24-20(27)19-14-5-3-2-4-6-16(14)28-21(19)25-17/h7-8,11H,2-6,9-10H2,1H3,(H,23,26)(H,24,25,27)

InChI Key

FIWAKOZGRHCKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14943088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

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

5.092

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.68

Polar Surface Area

58.204

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with F145-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0596?
Check Price and Availability of F145-0596, 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 F145-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0596
  • 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 F145-0596 available by request