6913-0022 Screening compound: ethyl 5-(2-hydroxy-3-{[(oxolan-2-yl)methyl]amino}propoxy)-1,2-dimethyl-1H-indole-3-carboxylate

6913-0022 Screening compound: ethyl 5-(2-hydroxy-3-{[(oxolan-2-yl)methyl]amino}propoxy)-1,2-dimethyl-1H-indole-3-carboxylate
6913-0022 Screening compound: ethyl 5-(2-hydroxy-3-{[(oxolan-2-yl)methyl]amino}propoxy)-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0022
ethyl 5-(2-hydroxy-3-{[(oxolan-2-yl)methyl]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

6913-0022

Molecular Formula

C21H30N2O5 (C21 H30 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(CNCC1OCCC1)O)=O

InChI

InChI=1S/C21H30N2O5/c1-4-26-21(25)20-14(2)23(3)19-8-7-16(10-18(19)20)28-13-15(24)11-22-12-17-6-5-9-27-17/h7-8,10,15,17,22,24H,4-6,9,11-13H2,1-3H3

InChI Key

RHNIJUPHKGITNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05156688

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.57

Polar Surface Area

67.813

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

6913-0022 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6913-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0022?
Check Price and Availability of 6913-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6913-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0022
  • 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 6913-0022 available by request