C260-1787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

C260-1787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide
C260-1787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1787
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

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

C260-1787

Molecular Formula

C28H26FN3O5 (C28 H26 FN3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-{1-[(2-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}pentanamide

SMILES

O=C(CCCCN(C(c(cccc1)c1N1Cc(cccc2)c2F)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H26FN3O5/c29-22-9-3-1-7-20(22)17-32-23-10-4-2-8-21(23)27(34)31(28(32)35)14-6-5-11-26(33)30-16-19-12-13-24-25(15-19)37-18-36-24/h1-4,7-10,12-13,15H,5-6,11,14,16-18H2,(H,30,33)

InChI Key

OIXIGULYYCVAJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.04

Polar Surface Area

72.832

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C260-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1787?
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What is the minimum amount of C260-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1787
  • 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 C260-1787 available by request