8017-4981 Screening compound: ethyl 6-bromo-5-methoxy-1-(3-methoxy-3-oxopropyl)-2-methyl-1H-indole-3-carboxylate

8017-4981 Screening compound: ethyl 6-bromo-5-methoxy-1-(3-methoxy-3-oxopropyl)-2-methyl-1H-indole-3-carboxylate
8017-4981 Screening compound: ethyl 6-bromo-5-methoxy-1-(3-methoxy-3-oxopropyl)-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4981
ethyl 6-bromo-5-methoxy-1-(3-methoxy-3-oxopropyl)-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

8017-4981

Molecular Formula

C17H20BrNO5 (C17 H20 BrNO5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1c2)c(C)n(CCC(OC)=O)c1cc(Br)c2OC)=O

InChI

InChI=1S/C17H20BrNO5/c1-5-24-17(21)16-10(2)19(7-6-15(20)23-4)13-9-12(18)14(22-3)8-11(13)16/h8-9H,5-7H2,1-4H3

InChI Key

UXXLEZASBLYIOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.51

Polar Surface Area

50.652

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 8017-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4981?
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What is the minimum amount of 8017-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4981
  • 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 8017-4981 available by request