C597-0300 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide

C597-0300 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide
C597-0300 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0300
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide

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

C597-0300

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(2-phenylethyl)propanamide

SMILES

CN(c(ccc(S(NC(Cc1ccccc1)C(NCCc1ccccc1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C27H28N4O5S/c1-30-24-14-13-21(18-22(24)26(33)31(2)27(30)34)37(35,36)29-23(17-20-11-7-4-8-12-20)25(32)28-16-15-19-9-5-3-6-10-19/h3-14,18,23,29H,15-17H2,1-2H3,(H,28,32)/t23-/m0/s1

InChI Key

JEBNNLVAAHETEM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14774452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.73

Polar Surface Area

97.198

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C597-0300 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C597-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0300?
Check Price and Availability of C597-0300, 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 C597-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0300
  • 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 C597-0300 available by request