C260-3118 Screening compound: 3-[3-(cyclohexanesulfonyl)propyl]-1-[(2,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C260-3118 Screening compound: 3-[3-(cyclohexanesulfonyl)propyl]-1-[(2,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C260-3118 Screening compound: 3-[3-(cyclohexanesulfonyl)propyl]-1-[(2,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-3118
3-[3-(cyclohexanesulfonyl)propyl]-1-[(2,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C260-3118

Molecular Formula

C26H32N2O4S (C26 H32 N2 O4 S)

Compound Name

3-[3-(cyclohexanesulfonyl)propyl]-1-[(2,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[3-(cyclohexanesulfonyl)propyl]-1-[(24-dimethylphenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

Cc1cc(C)c(CN(c(cccc2)c2C(N2CCCS(C3CCCCC3)(=O)=O)=O)C2=O)cc1

InChI

InChI=1S/C26H32N2O4S/c1-19-13-14-21(20(2)17-19)18-28-24-12-7-6-11-23(24)25(29)27(26(28)30)15-8-16-33(31,32)22-9-4-3-5-10-22/h6-7,11-14,17,22H,3-5,8-10,15-16,18H2,1-2H3

InChI Key

VVKOIJBAURCBAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-4.91

Polar Surface Area

60.474

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

-7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C260-3118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-3118?
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What is the minimum amount of C260-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-3118
  • 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 C260-3118 available by request