C260-3132 Screening compound: N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

C260-3132 Screening compound: N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide
C260-3132 Screening compound: N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-3132
N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

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

C260-3132

Molecular Formula

C28H35N3O5S (C28 H35 N3 O5 S)

Compound Name

N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

IUPAC name

N-benzyl-2-{3-[3-(cyclohexanesulfonyl)propyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(c(cccc1)c1C(N1CCCS(C2CCCCC2)(=O)=O)=O)C1=O)=O

InChI

InChI=1S/C28H35N3O5S/c1-2-29(20-22-12-5-3-6-13-22)26(32)21-31-25-17-10-9-16-24(25)27(33)30(28(31)34)18-11-19-37(35,36)23-14-7-4-8-15-23/h3,5-6,9-10,12-13,16-17,23H,2,4,7-8,11,14-15,18-21H2,1H3

InChI Key

NBECHFOKWNTDGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.83

Polar Surface Area

76.154

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C260-3132 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-3132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-3132?
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What is the minimum amount of C260-3132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-3132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-3132
  • 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 C260-3132 available by request