C450-0459 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

C450-0459 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
C450-0459 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0459
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

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

C450-0459

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(NCCc1cc(C)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-20-7-6-10-23(17-20)13-15-29-28(33)26(18-22-8-4-3-5-9-22)30-36(34,35)25-11-12-27-24(19-25)14-16-31(27)21(2)32/h3-12,17,19,26,30H,13-16,18H2,1-2H3,(H,29,33)/t26-/m0/s1

InChI Key

JWRUJZKPWHWVJM-SANMLTNESA-N

MDL Number (MFCD)

MFCD14759401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.94

Polar Surface Area

82.514

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C450-0459 in Drug Discovery

Included in Screening Libraries

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

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 C450-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0459?
Check Price and Availability of C450-0459, 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 C450-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0459
  • 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 C450-0459 available by request