C597-0446 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide

C597-0446 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide
C597-0446 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0446
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide

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

C597-0446

Molecular Formula

C24H30N4O6S (C24 H30 N4 O6 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-2-phenyl-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(C(c1ccccc1)NS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C24H30N4O6S/c1-16(2)34-14-8-13-25-22(29)21(17-9-6-5-7-10-17)26-35(32,33)18-11-12-20-19(15-18)23(30)28(4)24(31)27(20)3/h5-7,9-12,15-16,21,26H,8,13-14H2,1-4H3,(H,25,29)/t21-/m1/s1

InChI Key

DLHAQPGMTSYFTI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14774518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

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

1.885

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-3.12

Polar Surface Area

104.393

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C597-0446 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C597-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0446?
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What is the minimum amount of C597-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0446
  • 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 C597-0446 available by request