G535-0023 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}-1,3-oxazole

G535-0023 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}-1,3-oxazole
G535-0023 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0023
2-(4-ethoxyphenyl)-5-methyl-4-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}-1,3-oxazole

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

G535-0023

Molecular Formula

C30H32N2O2S (C30 H32 N2 O2 S)

Compound Name

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

IUPAC name

5-{[2-(4-ethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-6-phenyl-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene

SMILES

CCOc(cc1)ccc1-c1nc(CN(CCc2c3sc4c2CCCC4)C3c2ccccc2)c(C)o1

InChI

InChI=1S/C30H32N2O2S/c1-3-33-23-15-13-22(14-16-23)30-31-26(20(2)34-30)19-32-18-17-25-24-11-7-8-12-27(24)35-29(25)28(32)21-9-5-4-6-10-21/h4-6,9-10,13-16,28H,3,7-8,11-12,17-19H2,1-2H3/t28-/m1/s1

InChI Key

KGNQATHTKYPYRU-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD15016999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.385

Distribution Coefficient, logD

6.898

Water Solubility, LogSw

-5.86

Polar Surface Area

29.296

Acid Dissociation Constant (pKa)

25.66

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

G535-0023 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G535-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0023?
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What is the minimum amount of G535-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0023
  • 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 G535-0023 available by request