C361-2050 Screening compound: N-(butan-2-yl)-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

C361-2050 Screening compound: N-(butan-2-yl)-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
C361-2050 Screening compound: N-(butan-2-yl)-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2050
N-(butan-2-yl)-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

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

C361-2050

Molecular Formula

C18H26N2O4S (C18 H26 N2 O4 S)

Compound Name

N-(butan-2-yl)-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

IUPAC name

N-(butan-2-yl)-3-[(1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamide

SMILES

CCC(C)NC(CCS(c(cc1)cc(CC2)c1N2C(CC)=O)(=O)=O)=O

InChI

InChI=1S/C18H26N2O4S/c1-4-13(3)19-17(21)9-11-25(23,24)15-6-7-16-14(12-15)8-10-20(16)18(22)5-2/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)/t13-/m0/s1

InChI Key

XLMSGHXMQYJKHB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14753087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-2.52

Polar Surface Area

68.611

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C361-2050 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C361-2050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2050?
Check Price and Availability of C361-2050, 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 C361-2050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2050
  • 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 C361-2050 available by request