C450-0811 Screening compound: 1-acetyl-N-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1H-indole-5-sulfonamide

C450-0811 Screening compound: 1-acetyl-N-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1H-indole-5-sulfonamide
C450-0811 Screening compound: 1-acetyl-N-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0811
1-acetyl-N-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1H-indole-5-sulfonamide

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

C450-0811

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

1-acetyl-N-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-[3-(23-dihydro-1H-indol-1-yl)-3-oxopropyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NCCC(N(CC1)c2c1cccc2)=O)(=O)=O)=O

InChI

InChI=1S/C21H23N3O4S/c1-15(25)23-12-10-17-14-18(6-7-20(17)23)29(27,28)22-11-8-21(26)24-13-9-16-4-2-3-5-19(16)24/h2-7,14,22H,8-13H2,1H3

InChI Key

YZZXGTFVICIMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.83

Polar Surface Area

73.679

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C450-0811 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C450-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0811?
Check Price and Availability of C450-0811, 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 C450-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0811
  • 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 C450-0811 available by request