F145-0669 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~-[3-(ethyl-3-methylanilino)propyl]propanamide

F145-0669 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~-[3-(ethyl-3-methylanilino)propyl]propanamide
F145-0669 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~-[3-(ethyl-3-methylanilino)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0669
3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-[3-(ethyl-3-methylanilino)propyl]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

F145-0669

Molecular Formula

C29H40N4O2S (C29 H40 N4 O2 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~-[3-(ethyl-3-methylanilino)propyl]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-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide

SMILES

CCN(CCCNC(CCC(N1)=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C29H40N4O2S/c1-6-33(21-10-7-9-19(2)17-21)16-8-15-30-25(34)14-13-24-31-27(35)26-22-12-11-20(29(3,4)5)18-23(22)36-28(26)32-24/h7,9-10,17,20H,6,8,11-16,18H2,1-5H3,(H,30,34)(H,31,32,35)/t20-/m1/s1

InChI Key

QXOWTWZITDNHIO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD20754170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-5.31

Polar Surface Area

62.026

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.20

F145-0669 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F145-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0669?
Check Price and Availability of F145-0669, 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 F145-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0669
  • 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 F145-0669 available by request