C464-1164 Screening compound: N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

C464-1164 Screening compound: N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide
C464-1164 Screening compound: N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1164
N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)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

C464-1164

Molecular Formula

C28H31N3O5S (C28 H31 N3 O5 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-3-phenyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)propanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(NCc(cc1)ccc1OC)=O)(=O)=O)=O

InChI

InChI=1S/C28H31N3O5S/c1-3-27(32)31-16-15-22-18-24(13-14-26(22)31)37(34,35)30-25(17-20-7-5-4-6-8-20)28(33)29-19-21-9-11-23(36-2)12-10-21/h4-14,18,25,30H,3,15-17,19H2,1-2H3,(H,29,33)/t25-/m0/s1

InChI Key

OYNQIVVQELKHON-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14760239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.545

Water Solubility, LogSw

-3.91

Polar Surface Area

89.221

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C464-1164 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C464-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1164?
Check Price and Availability of C464-1164, 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 C464-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1164
  • 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 C464-1164 available by request