P094-1395 Screening compound: 1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-indole-6-carboxamide

P094-1395 Screening compound: 1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-indole-6-carboxamide
P094-1395 Screening compound: 1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-indole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P094-1395
1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-indole-6-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

P094-1395

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-indole-6-carboxamide

IUPAC name

1-methanesulfonyl-N-{[4-(morpholin-4-yl)phenyl]methyl}-23-dihydro-1H-indole-6-carboxamide

SMILES

CS(N(CC1)c2c1ccc(C(NCc(cc1)ccc1N1CCOCC1)=O)c2)(=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-29(26,27)24-9-8-17-4-5-18(14-20(17)24)21(25)22-15-16-2-6-19(7-3-16)23-10-12-28-13-11-23/h2-7,14H,8-13,15H2,1H3,(H,22,25)

InChI Key

DWSMNWVKVNSMAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.56

Polar Surface Area

67.295

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P094-1395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P094-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P094-1395?
Check Price and Availability of P094-1395, 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 P094-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P094-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P094-1395
  • 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 P094-1395 available by request