C464-0995 Screening compound: N-(3,5-dimethylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

C464-0995 Screening compound: N-(3,5-dimethylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
C464-0995 Screening compound: N-(3,5-dimethylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0995
N-(3,5-dimethylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

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

C464-0995

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

N-(3,5-dimethylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

IUPAC name

N-(35-dimethylphenyl)-4-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)pentanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(Nc1cc(C)cc(C)c1)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-6-24(29)28-10-9-19-15-21(7-8-23(19)28)33(31,32)27-22(11-16(2)3)25(30)26-20-13-17(4)12-18(5)14-20/h7-8,12-16,22,27H,6,9-11H2,1-5H3,(H,26,30)/t22-/m0/s1

InChI Key

NQQVXVGXYYSDTR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14760206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-4.36

Polar Surface Area

80.626

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C464-0995 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C464-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0995?
Check Price and Availability of C464-0995, 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 C464-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0995
  • 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 C464-0995 available by request