C464-0691 Screening compound: N-(4-ethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0691 Screening compound: N-(4-ethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0691 Screening compound: N-(4-ethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0691
N-(4-ethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

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

C464-0691

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

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

IUPAC name

N-(4-ethoxyphenyl)-3-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)butanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(Nc(cc1)ccc1OCC)=O)(=O)=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-5-22(28)27-14-13-17-15-20(11-12-21(17)27)33(30,31)26-23(16(3)4)24(29)25-18-7-9-19(10-8-18)32-6-2/h7-12,15-16,23,26H,5-6,13-14H2,1-4H3,(H,25,29)/t23-/m0/s1

InChI Key

OZZCVRNOSGTTRJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.94

Polar Surface Area

87.472

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-0691 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 C464-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0691?
Check Price and Availability of C464-0691, 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 C464-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0691
  • 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 C464-0691 available by request