C597-0289 Screening compound: N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-methyl-3-phenylpropanamide

C597-0289 Screening compound: N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-methyl-3-phenylpropanamide
C597-0289 Screening compound: N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-methyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0289
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-methyl-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

C597-0289

Molecular Formula

C26H32N4O5S (C26 H32 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C1CCCCC1)C(C(Cc1ccccc1)NS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C26H32N4O5S/c1-28(19-12-8-5-9-13-19)25(32)22(16-18-10-6-4-7-11-18)27-36(34,35)20-14-15-23-21(17-20)24(31)30(3)26(33)29(23)2/h4,6-7,10-11,14-15,17,19,22,27H,5,8-9,12-13,16H2,1-3H3/t22-/m0/s1

InChI Key

DBCKPPOACUDTBH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14774446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.92

Polar Surface Area

88.146

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C597-0289 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 C597-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0289?
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What is the minimum amount of C597-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0289
  • 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 C597-0289 available by request