6913-0035 Screening compound: ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-1,2-dimethyl-1H-indole-3-carboxylate

6913-0035 Screening compound: ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-1,2-dimethyl-1H-indole-3-carboxylate
6913-0035 Screening compound: ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0035
ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-1,2-dimethyl-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

6913-0035

Molecular Formula

C23H28N2O5 (C23 H28 N2 O5)

Compound Name

ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-1,2-dimethyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-{2-hydroxy-3-[(4-methoxyphenyl)amino]propoxy}-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(CNc(cc1)ccc1OC)O)=O

InChI

InChI=1S/C23H28N2O5/c1-5-29-23(27)22-15(2)25(3)21-11-10-19(12-20(21)22)30-14-17(26)13-24-16-6-8-18(28-4)9-7-16/h6-12,17,24,26H,5,13-14H2,1-4H3/t17-/m0/s1

InChI Key

PHUJMEBTAIYAKO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12966109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.91

Polar Surface Area

65.171

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6913-0035 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6913-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0035?
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What is the minimum amount of 6913-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0035
  • 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 6913-0035 available by request