E540-0944 Screening compound: N~1~-(2-ethylphenyl)-2-[1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]acetamide

E540-0944 Screening compound: N~1~-(2-ethylphenyl)-2-[1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]acetamide
E540-0944 Screening compound: N~1~-(2-ethylphenyl)-2-[1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0944
N~1~-(2-ethylphenyl)-2-[1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]acetamide

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

E540-0944

Molecular Formula

C28H32N2O2S (C28 H32 N2 O2 S)

Compound Name

N~1~-(2-ethylphenyl)-2-[1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]acetamide

IUPAC name

N-(2-ethylphenyl)-2-[6-(2-methoxyphenyl)-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-yl]acetamide

SMILES

CCc(cccc1)c1NC(CN(CCc1c2sc3c1CCCC3)C2c(cccc1)c1OC)=O

InChI

InChI=1S/C28H32N2O2S/c1-3-19-10-4-7-13-23(19)29-26(31)18-30-17-16-21-20-11-6-9-15-25(20)33-28(21)27(30)22-12-5-8-14-24(22)32-2/h4-5,7-8,10,12-14,27H,3,6,9,11,15-18H2,1-2H3,(H,29,31)/t27-/m1/s1

InChI Key

IPTFRWDEONTSLG-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14897297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.686

Distribution Coefficient, logD

6.310

Water Solubility, LogSw

-5.64

Polar Surface Area

34.132

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with E540-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0944?
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What is the minimum amount of E540-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0944
  • 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 E540-0944 available by request