C800-0441 Screening compound: 3-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

C800-0441 Screening compound: 3-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
C800-0441 Screening compound: 3-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0441
3-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-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

C800-0441

Molecular Formula

C30H33FN2O4 (C30 H33 FN2 O4)

Compound Name

3-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(34-diethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

SMILES

CCOc(ccc(CCNCc1c(C(O)=O)n(Cc(cccc2)c2F)c2c1ccc(C)c2)c1)c1OCC

InChI

InChI=1S/C30H33FN2O4/c1-4-36-27-13-11-21(17-28(27)37-5-2)14-15-32-18-24-23-12-10-20(3)16-26(23)33(29(24)30(34)35)19-22-8-6-7-9-25(22)31/h6-13,16-17,32H,4-5,14-15,18-19H2,1-3H3,(H,34,35)

InChI Key

RLNOWOPQOOINAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.48

Polar Surface Area

54.904

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C800-0441 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C800-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0441?
Check Price and Availability of C800-0441, 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 C800-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0441
  • 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 C800-0441 available by request