C565-0083 Screening compound: N-[(4-methylphenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide

C565-0083 Screening compound: N-[(4-methylphenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide
C565-0083 Screening compound: N-[(4-methylphenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C565-0083
N-[(4-methylphenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide

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

C565-0083

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

N-[(4-methylphenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide

IUPAC name

N-[(4-methylphenyl)methyl]-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-2-phenylacetamide

SMILES

Cc1ccc(CNC(C(c2ccccc2)NS(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C25H25N3O4S/c1-17-7-9-18(10-8-17)16-26-25(30)24(19-5-3-2-4-6-19)28-33(31,32)21-12-13-22-20(15-21)11-14-23(29)27-22/h2-10,12-13,15,24,28H,11,14,16H2,1H3,(H,26,30)(H,27,29)/t24-/m1/s1

InChI Key

XTSGHOOHODVFJP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14772343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.46

Polar Surface Area

90.796

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C565-0083 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 C565-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C565-0083?
Check Price and Availability of C565-0083, 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 C565-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C565-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C565-0083
  • 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 C565-0083 available by request