F145-0636 Screening compound: 3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(4-ethoxyphenyl)propanamide

F145-0636 Screening compound: 3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(4-ethoxyphenyl)propanamide
F145-0636 Screening compound: 3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(4-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0636
3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(4-ethoxyphenyl)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

F145-0636

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(4-ethoxyphenyl)propanamide

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CCC(N1)=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O)=O

InChI

InChI=1S/C25H31N3O3S/c1-5-31-17-9-7-16(8-10-17)26-21(29)13-12-20-27-23(30)22-18-11-6-15(25(2,3)4)14-19(18)32-24(22)28-20/h7-10,15H,5-6,11-14H2,1-4H3,(H,26,29)(H,27,28,30)/t15-/m1/s1

InChI Key

BEBCKYGGFALJLZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD11999391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.131

Water Solubility, LogSw

-5.03

Polar Surface Area

64.996

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

F145-0636 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F145-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0636?
Check Price and Availability of F145-0636, 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 F145-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0636
  • 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 F145-0636 available by request