C597-0248 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C597-0248 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
C597-0248 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0248
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-3-phenyl-N-(1,3-thiazol-2-yl)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

C597-0248

Molecular Formula

C22H21N5O5S2 (C22 H21 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(NC(Cc1ccccc1)C(Nc1nccs1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C22H21N5O5S2/c1-26-18-9-8-15(13-16(18)20(29)27(2)22(26)30)34(31,32)25-17(12-14-6-4-3-5-7-14)19(28)24-21-23-10-11-33-21/h3-11,13,17,25H,12H2,1-2H3,(H,23,24,28)/t17-/m0/s1

InChI Key

ZIVBEWQMISWACW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14774427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.71

Polar Surface Area

106.513

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C597-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C597-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0248?
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What is the minimum amount of C597-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0248
  • 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 C597-0248 available by request