8017-1305 Screening compound: {6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indol-3-yl}(piperidino)methanone

8017-1305 Screening compound: {6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indol-3-yl}(piperidino)methanone
8017-1305 Screening compound: {6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indol-3-yl}(piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1305
{6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indol-3-yl}(piperidino)methanone

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

8017-1305

Molecular Formula

C24H27BrN2O4 (C24 H27 BrN2 O4)

Compound Name

{6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indol-3-yl}(piperidino)methanone

IUPAC name

6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-3-(piperidine-1-carbonyl)-1H-indole

SMILES

Cn(c(COc(cc1)ccc1OC)c(C(N1CCCCC1)=O)c1c2)c1cc(Br)c2OC

InChI

InChI=1S/C24H27BrN2O4/c1-26-20-14-19(25)22(30-3)13-18(20)23(24(28)27-11-5-4-6-12-27)21(26)15-31-17-9-7-16(29-2)8-10-17/h7-10,13-14H,4-6,11-12,15H2,1-3H3

InChI Key

TYPSUBSECVFCPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.58

Polar Surface Area

41.081

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8017-1305 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 8017-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1305?
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What is the minimum amount of 8017-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1305
  • 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 8017-1305 available by request