G539-0011 Screening compound: methyl 2-({[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]carbonyl}amino)benzoate

G539-0011 Screening compound: methyl 2-({[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]carbonyl}amino)benzoate
G539-0011 Screening compound: methyl 2-({[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G539-0011
methyl 2-({[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]carbonyl}amino)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

G539-0011

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

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

IUPAC name

methyl 2-({6-phenyl-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-5-carbonyl}amino)benzoate

SMILES

COC(c(cccc1)c1NC(N(CCc1c2sc3c1CCCC3)C2c1ccccc1)=O)=O

InChI

InChI=1S/C26H26N2O3S/c1-31-25(29)20-12-5-7-13-21(20)27-26(30)28-16-15-19-18-11-6-8-14-22(18)32-24(19)23(28)17-9-3-2-4-10-17/h2-5,7,9-10,12-13,23H,6,8,11,14-16H2,1H3,(H,27,30)/t23-/m1/s1

InChI Key

GMDLBUDHLIDFST-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27142934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.488

Distribution Coefficient, logD

6.487

Water Solubility, LogSw

-5.72

Polar Surface Area

46.097

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with G539-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-0011?
Check Price and Availability of G539-0011, 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 G539-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-0011
  • 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 G539-0011 available by request