C700-1813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

C700-1813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide
C700-1813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1813
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

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

C700-1813

Molecular Formula

C27H26N2O3 (C27 H26 N2 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-23-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

SMILES

Cc1c(C)n(Cc2cc(C)ccc2)c(cc2)c1cc2C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H26N2O3/c1-17-5-4-6-21(11-17)15-29-19(3)18(2)23-13-22(8-9-24(23)29)27(30)28-14-20-7-10-25-26(12-20)32-16-31-25/h4-13H,14-16H2,1-3H3,(H,28,30)

InChI Key

RIXRZKGHCCJLSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.62

Polar Surface Area

42.968

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C700-1813 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C700-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1813?
Check Price and Availability of C700-1813, 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 C700-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1813
  • 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 C700-1813 available by request