C597-0297 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3,4-dimethylphenyl)-3-phenylpropanamide

C597-0297 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3,4-dimethylphenyl)-3-phenylpropanamide
C597-0297 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3,4-dimethylphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0297
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3,4-dimethylphenyl)-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

C597-0297

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

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

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(34-dimethylphenyl)-3-phenylpropanamide

SMILES

Cc(cc1)c(C)cc1NC(C(Cc1ccccc1)NS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C27H28N4O5S/c1-17-10-11-20(14-18(17)2)28-25(32)23(15-19-8-6-5-7-9-19)29-37(35,36)21-12-13-24-22(16-21)26(33)31(4)27(34)30(24)3/h5-14,16,23,29H,15H2,1-4H3,(H,28,32)/t23-/m0/s1

InChI Key

FUBFSZVTMCNFLR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14774450

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-4.33

Polar Surface Area

96.035

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C597-0297 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 C597-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0297?
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What is the minimum amount of C597-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0297
  • 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 C597-0297 available by request