C800-0862 Screening compound: 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

C800-0862 Screening compound: 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide
C800-0862 Screening compound: 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0862
2,3-dimethyl-N-[(2-methylphenyl)methyl]-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

C800-0862

Molecular Formula

C27H28N2O (C27 H28 N2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)n(Cc2cc(C)ccc2)c(cc2)c1cc2C(NCc1c(C)cccc1)=O

InChI

InChI=1S/C27H28N2O/c1-18-8-7-10-22(14-18)17-29-21(4)20(3)25-15-23(12-13-26(25)29)27(30)28-16-24-11-6-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,28,30)

InChI Key

GIYBBWYZRCFTPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.787

Distribution Coefficient, logD

6.787

Water Solubility, LogSw

-5.75

Polar Surface Area

25.852

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C800-0862 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C800-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0862?
Check Price and Availability of C800-0862, 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 C800-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0862
  • 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 C800-0862 available by request