G535-0067 Screening compound: methyl 4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzoate

G535-0067 Screening compound: methyl 4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzoate
G535-0067 Screening compound: methyl 4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0067
methyl 4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzoate

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

G535-0067

Molecular Formula

C26H27NO2S (C26 H27 NO2 S)

Compound Name

methyl 4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzoate

IUPAC name

methyl 4-({6-phenyl-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-yl}methyl)benzoate

SMILES

COC(c1ccc(CN(CCc2c3sc4c2CCCC4)C3c2ccccc2)cc1)=O

InChI

InChI=1S/C26H27NO2S/c1-29-26(28)20-13-11-18(12-14-20)17-27-16-15-22-21-9-5-6-10-23(21)30-25(22)24(27)19-7-3-2-4-8-19/h2-4,7-8,11-14,24H,5-6,9-10,15-17H2,1H3/t24-/m1/s1

InChI Key

FOBRYYDBSWRCTJ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15017012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.566

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-5.75

Polar Surface Area

25.224

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with G535-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0067?
Check Price and Availability of G535-0067, 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 G535-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0067
  • 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 G535-0067 available by request