C597-0317 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide

C597-0317 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide
C597-0317 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0317
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide

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

C597-0317

Molecular Formula

C23H28N4O6S (C23 H28 N4 O6 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(3-methoxypropyl)-3-phenylpropanamide

SMILES

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

InChI

InChI=1S/C23H28N4O6S/c1-26-20-11-10-17(15-18(20)22(29)27(2)23(26)30)34(31,32)25-19(14-16-8-5-4-6-9-16)21(28)24-12-7-13-33-3/h4-6,8-11,15,19,25H,7,12-14H2,1-3H3,(H,24,28)/t19-/m0/s1

InChI Key

MBUGLSMMSAFPQF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14774463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.95

Polar Surface Area

105.812

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C597-0317 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C597-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0317?
Check Price and Availability of C597-0317, 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 C597-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0317
  • 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 C597-0317 available by request