8006-9412 Screening compound: phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate

8006-9412 Screening compound: phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate
8006-9412 Screening compound: phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9412
phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate

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

8006-9412

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate

IUPAC name

phenyl N-[2-(1H-indol-3-yl)-1-[(3-methylphenyl)carbamoyl]ethyl]carbamate

SMILES

Cc1cccc(NC(C(Cc2c[nH]c3c2cccc3)NC(Oc2ccccc2)=O)=O)c1

InChI

InChI=1S/C25H23N3O3/c1-17-8-7-9-19(14-17)27-24(29)23(28-25(30)31-20-10-3-2-4-11-20)15-18-16-26-22-13-6-5-12-21(18)22/h2-14,16,23,26H,15H2,1H3,(H,27,29)(H,28,30)/t23-/m0/s1

InChI Key

CKKROKMITKMMMI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00827488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.73

Polar Surface Area

65.221

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8006-9412 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 8006-9412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9412?
Check Price and Availability of 8006-9412, 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 8006-9412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9412
  • 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 8006-9412 available by request