E693-0133 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E693-0133 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E693-0133 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0133
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

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

E693-0133

Molecular Formula

C28H30N2O4 (C28 H30 N2 O4)

Compound Name

3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(34-dimethoxyphenyl)ethyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

Cc1c(Cn2c(C(O)=O)c(CNCCc(cc3)cc(OC)c3OC)c3c2cccc3)cccc1

InChI

InChI=1S/C28H30N2O4/c1-19-8-4-5-9-21(19)18-30-24-11-7-6-10-22(24)23(27(30)28(31)32)17-29-15-14-20-12-13-25(33-2)26(16-20)34-3/h4-13,16,29H,14-15,17-18H2,1-3H3,(H,31,32)

InChI Key

GBQXHVLGMRUJTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.24

Polar Surface Area

55.745

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E693-0133 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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 E693-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0133?
Check Price and Availability of E693-0133, 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 E693-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0133
  • 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 E693-0133 available by request