C597-0249 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C597-0249 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
C597-0249 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0249
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-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

C597-0249

Molecular Formula

C23H23N5O5S2 (C23 H23 N5 O5 S2)

Compound Name

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

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-13-thiazol-2-yl)-3-phenylpropanamide

SMILES

Cc1csc(NC(C(Cc2ccccc2)NS(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)n1

InChI

InChI=1S/C23H23N5O5S2/c1-14-13-34-22(24-14)25-20(29)18(11-15-7-5-4-6-8-15)26-35(32,33)16-9-10-19-17(12-16)21(30)28(3)23(31)27(19)2/h4-10,12-13,18,26H,11H2,1-3H3,(H,24,25,29)/t18-/m0/s1

InChI Key

OFYFMHJEYDBSOL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14774428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.6

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

3.188

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.64

Polar Surface Area

105.887

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C597-0249 in Drug Discovery

Included in Screening Libraries

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 C597-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0249?
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What is the minimum amount of C597-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0249
  • 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 C597-0249 available by request