C597-0388 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide

C597-0388 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide
C597-0388 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0388
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide

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

C597-0388

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-[(4-methylphenyl)methyl]-2-phenylacetamide

SMILES

Cc1ccc(CNC(C(c2ccccc2)NS(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C26H26N4O5S/c1-17-9-11-18(12-10-17)16-27-24(31)23(19-7-5-4-6-8-19)28-36(34,35)20-13-14-22-21(15-20)25(32)30(3)26(33)29(22)2/h4-15,23,28H,16H2,1-3H3,(H,27,31)/t23-/m1/s1

InChI Key

CDXFNGXSLWUQID-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14774491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

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

2.902

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.64

Polar Surface Area

97.078

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C597-0388 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 C597-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0388?
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What is the minimum amount of C597-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0388
  • 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 C597-0388 available by request