C260-0918 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C260-0918 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C260-0918 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0918
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)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

C260-0918

Molecular Formula

C23H17N3O6 (C23 H17 N3 O6)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

[O-][N+](c1cc(CN(c(cccc2)c2C(N2Cc(cc3)cc4c3OCO4)=O)C2=O)ccc1)=O

InChI

InChI=1S/C23H17N3O6/c27-22-18-6-1-2-7-19(18)24(12-15-4-3-5-17(10-15)26(29)30)23(28)25(22)13-16-8-9-20-21(11-16)32-14-31-20/h1-11H,12-14H2

InChI Key

MSZAXONHFIWDEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.35

Polar Surface Area

81.764

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

C260-0918 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C260-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0918?
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What is the minimum amount of C260-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0918
  • 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 C260-0918 available by request