C597-0052 Screening compound: ethyl 3-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate

C597-0052 Screening compound: ethyl 3-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate
C597-0052 Screening compound: ethyl 3-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0052
ethyl 3-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate

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

C597-0052

Molecular Formula

C27H27N3O6S (C27 H27 N3 O6 S)

Compound Name

ethyl 3-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate

IUPAC name

ethyl 3-[2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamido]benzoate

SMILES

CCOC(c1cccc(NC(C(Cc2ccccc2)NS(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)c1)=O

InChI

InChI=1S/C27H27N3O6S/c1-2-36-27(33)20-9-6-10-21(16-20)28-26(32)24(15-18-7-4-3-5-8-18)30-37(34,35)22-12-13-23-19(17-22)11-14-25(31)29-23/h3-10,12-13,16-17,24,30H,2,11,14-15H2,1H3,(H,28,32)(H,29,31)/t24-/m0/s1

InChI Key

HVRGFNDRHJOPPJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14774353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.21

Polar Surface Area

110.506

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C597-0052 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C597-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0052?
Check Price and Availability of C597-0052, 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 C597-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0052
  • 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 C597-0052 available by request