8017-0643 Screening compound: 2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indole-3-carboxylate

8017-0643 Screening compound: 2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indole-3-carboxylate
8017-0643 Screening compound: 2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0643
2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-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

8017-0643

Molecular Formula

C25H31BrN2O5 (C25 H31 BrN2 O5)

Compound Name

2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indole-3-carboxylate

IUPAC name

2-(diethylamino)ethyl 6-bromo-5-methoxy-2-[(4-methoxyphenoxy)methyl]-1-methyl-1H-indole-3-carboxylate

SMILES

CCN(CC)CCOC(c(c1c2)c(COc(cc3)ccc3OC)n(C)c1cc(Br)c2OC)=O

InChI

InChI=1S/C25H31BrN2O5/c1-6-28(7-2)12-13-32-25(29)24-19-14-23(31-5)20(26)15-21(19)27(3)22(24)16-33-18-10-8-17(30-4)9-11-18/h8-11,14-15H,6-7,12-13,16H2,1-5H3

InChI Key

USENOHVSMAKKQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013794

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

519.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.81

Polar Surface Area

48.892

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8017-0643 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8017-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0643?
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What is the minimum amount of 8017-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0643
  • 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 8017-0643 available by request