8017-0693 Screening compound: ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-1H-indole-3-carboxylate

8017-0693 Screening compound: ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-1H-indole-3-carboxylate
8017-0693 Screening compound: ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0693
ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-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

8017-0693

Molecular Formula

C22H31BrN2O3 (C22 H31 BrN2 O3)

Compound Name

ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-1-cyclohexyl-2-[(diethylamino)methyl]-5-hydroxy-1H-indole-3-carboxylate

SMILES

CCN(CC)Cc(n(C1CCCCC1)c1c2)c(C(OCC)=O)c1cc(O)c2Br

InChI

InChI=1S/C22H31BrN2O3/c1-4-24(5-2)14-19-21(22(27)28-6-3)16-12-20(26)17(23)13-18(16)25(19)15-10-8-7-9-11-15/h12-13,15,26H,4-11,14H2,1-3H3

InChI Key

JKIKSRFGKSSCPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05042287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-4.68

Polar Surface Area

42.260

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

11.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

8017-0693 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0693?
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What is the minimum amount of 8017-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0693
  • 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 8017-0693 available by request