C361-1449 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

C361-1449 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
C361-1449 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1449
N-(2,5-difluorophenyl)-3-[(2-methyl-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

C361-1449

Molecular Formula

C21H22F2N2O4S (C21 H22 F2 N2 O4 S)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-3-[(2-methyl-1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamide

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(CCC(Nc(cc(cc1)F)c1F)=O)(=O)=O)=O

InChI

InChI=1S/C21H22F2N2O4S/c1-3-21(27)25-13(2)10-14-11-16(5-7-19(14)25)30(28,29)9-8-20(26)24-18-12-15(22)4-6-17(18)23/h4-7,11-13H,3,8-10H2,1-2H3,(H,24,26)/t13-/m1/s1

InChI Key

OSWUNNFKXPHBFJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14752882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.42

Polar Surface Area

65.817

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C361-1449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C361-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1449?
Check Price and Availability of C361-1449, 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 C361-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1449
  • 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 C361-1449 available by request