F145-0646 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~-(3,4-dimethoxyphenethyl)propanamide

F145-0646 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~-(3,4-dimethoxyphenethyl)propanamide
F145-0646 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~-(3,4-dimethoxyphenethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0646
3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-(3,4-dimethoxyphenethyl)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

F145-0646

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 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~-(3,4-dimethoxyphenethyl)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-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(CCC(NCCc(cc1)cc(OC)c1OC)=O)=N1)=O)c1s2

InChI

InChI=1S/C27H35N3O4S/c1-27(2,3)17-7-8-18-21(15-17)35-26-24(18)25(32)29-22(30-26)10-11-23(31)28-13-12-16-6-9-19(33-4)20(14-16)34-5/h6,9,14,17H,7-8,10-13,15H2,1-5H3,(H,28,31)(H,29,30,32)/t17-/m1/s1

InChI Key

VDOUDCUZUQKZDA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD11998515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.36

Polar Surface Area

74.297

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

F145-0646 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with F145-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0646?
Check Price and Availability of F145-0646, 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 F145-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0646
  • 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 F145-0646 available by request