F145-0883 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~-[2-(2-methoxyphenoxy)ethyl]propanamide

F145-0883 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~-[2-(2-methoxyphenoxy)ethyl]propanamide
F145-0883 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~-[2-(2-methoxyphenoxy)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0883
3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N~1~-[2-(2-methoxyphenoxy)ethyl]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

F145-0883

Molecular Formula

C26H33N3O4S (C26 H33 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~-[2-(2-methoxyphenoxy)ethyl]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-(2-methoxyphenoxy)ethyl]propanamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(CCC(NCCOc(cccc1)c1OC)=O)=N1)=O)c1s2

InChI

InChI=1S/C26H33N3O4S/c1-26(2,3)16-9-10-17-20(15-16)34-25-23(17)24(31)28-21(29-25)11-12-22(30)27-13-14-33-19-8-6-5-7-18(19)32-4/h5-8,16H,9-15H2,1-4H3,(H,27,30)(H,28,29,31)/t16-/m1/s1

InChI Key

CRUJSZDUWOAVMX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14943124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

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

4.380

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.49

Polar Surface Area

74.171

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with F145-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0883?
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What is the minimum amount of F145-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0883
  • 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 F145-0883 available by request