E693-0481 Screening compound: 1-[(2-methylphenyl)methyl]-3-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid

E693-0481 Screening compound: 1-[(2-methylphenyl)methyl]-3-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
E693-0481 Screening compound: 1-[(2-methylphenyl)methyl]-3-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0481
1-[(2-methylphenyl)methyl]-3-({[(3,4,5-trimethoxyphenyl)methyl]amino}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

E693-0481

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

1-[(2-methylphenyl)methyl]-3-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-methylphenyl)methyl]-3-({[(345-trimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

Cc1c(Cn2c(C(O)=O)c(CNCc(cc3OC)cc(OC)c3OC)c3c2cccc3)cccc1

InChI

InChI=1S/C28H30N2O5/c1-18-9-5-6-10-20(18)17-30-23-12-8-7-11-21(23)22(26(30)28(31)32)16-29-15-19-13-24(33-2)27(35-4)25(14-19)34-3/h5-14,29H,15-17H2,1-4H3,(H,31,32)

InChI Key

VYMSMTLEKUKCFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

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

4.733

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.57

Polar Surface Area

63.620

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

13.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E693-0481 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E693-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0481?
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What is the minimum amount of E693-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0481
  • 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 E693-0481 available by request