8015-8293 Screening compound: ethyl 6-bromo-1-(2-hydroxy-3-morpholinopropyl)-5-methoxy-2-methyl-1H-indole-3-carboxylate

8015-8293 Screening compound: ethyl 6-bromo-1-(2-hydroxy-3-morpholinopropyl)-5-methoxy-2-methyl-1H-indole-3-carboxylate
8015-8293 Screening compound: ethyl 6-bromo-1-(2-hydroxy-3-morpholinopropyl)-5-methoxy-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8293
ethyl 6-bromo-1-(2-hydroxy-3-morpholinopropyl)-5-methoxy-2-methyl-1H-indole-3-carboxylate

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

8015-8293

Molecular Formula

C20H27BrN2O5 (C20 H27 BrN2 O5)

Compound Name

ethyl 6-bromo-1-(2-hydroxy-3-morpholinopropyl)-5-methoxy-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-1-[2-hydroxy-3-(morpholin-4-yl)propyl]-5-methoxy-2-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(C)n(CC(CN3CCOCC3)O)c1cc(Br)c2OC)=O

InChI

InChI=1S/C20H27BrN2O5/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19/h9-10,14,24H,4-8,11-12H2,1-3H3/t14-/m1/s1

InChI Key

YUSYRDPYBOFPQQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05258700

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

455.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.45

Polar Surface Area

58.355

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

8015-8293 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-8293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8293?
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What is the minimum amount of 8015-8293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8293
  • 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 8015-8293 available by request