F145-0712 Screening compound: 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxamide

F145-0712 Screening compound: 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxamide
F145-0712 Screening compound: 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0712
1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxamide

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

F145-0712

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxamide

IUPAC name

1-(3-{11-tert-butyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}propanoyl)piperidine-4-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(CCC(N(CC1)CCC1C(N)=O)=O)=N1)=O)c1s2

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)14-4-5-15-16(12-14)31-22-19(15)21(30)25-17(26-22)6-7-18(28)27-10-8-13(9-11-27)20(24)29/h13-14H,4-12H2,1-3H3,(H2,24,29)(H,25,26,30)/t14-/m1/s1

InChI Key

QZJATGWZKQNJSF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD11998948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.67

Polar Surface Area

85.175

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

F145-0712 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F145-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0712?
Check Price and Availability of F145-0712, 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 F145-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0712
  • 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 F145-0712 available by request