8013-2955 Screening compound: methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate

8013-2955 Screening compound: methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate
8013-2955 Screening compound: methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2955
methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate

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

8013-2955

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate

IUPAC name

methyl 3-({[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}methyl)benzoate

SMILES

Cc1c(CCNCc2cccc(C(OC)=O)c2)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C21H24N2O3/c1-14-18(19-12-17(25-2)7-8-20(19)23-14)9-10-22-13-15-5-4-6-16(11-15)21(24)26-3/h4-8,11-12,22-23H,9-10,13H2,1-3H3

InChI Key

DCNHCKZTSYOXED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764277

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.85

Polar Surface Area

50.489

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8013-2955 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2955?
Check Price and Availability of 8013-2955, 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 8013-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2955
  • 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 8013-2955 available by request