C260-1501 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-1501 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-1501 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1501
N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

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

C260-1501

Molecular Formula

C24H22N4O6 (C24 H22 N4 O6)

Compound Name

N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

IUPAC name

N-[(furan-2-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}butanamide

SMILES

[O-][N+](c1cc(CN(c(cccc2)c2C(N2CCCC(NCc3ccco3)=O)=O)C2=O)ccc1)=O

InChI

InChI=1S/C24H22N4O6/c29-22(25-15-19-8-5-13-34-19)11-4-12-26-23(30)20-9-1-2-10-21(20)27(24(26)31)16-17-6-3-7-18(14-17)28(32)33/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,25,29)

InChI Key

VMIKGCHKHSLLGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.70

Polar Surface Area

96.847

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C260-1501 in Drug Discovery

Included in Screening Libraries

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 C260-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1501?
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What is the minimum amount of C260-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1501
  • 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 C260-1501 available by request