C597-0330 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

C597-0330 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
C597-0330 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0330
1,3-dimethyl-2,4-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

C597-0330

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

1,3-dimethyl-2,4-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

13-dimethyl-24-dioxo-N-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(c(ccc(S(NC(Cc1ccccc1)C(N1CCCCC1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H28N4O5S/c1-26-21-12-11-18(16-19(21)22(29)27(2)24(26)31)34(32,33)25-20(15-17-9-5-3-6-10-17)23(30)28-13-7-4-8-14-28/h3,5-6,9-12,16,20,25H,4,7-8,13-15H2,1-2H3/t20-/m0/s1

InChI Key

BCISPGXZYXRHOA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14774470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.39

Polar Surface Area

89.592

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C597-0330 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C597-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0330?
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What is the minimum amount of C597-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0330
  • 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 C597-0330 available by request