C260-1100 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-1100 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-1100 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1100
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-fluorophenyl)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

C260-1100

Molecular Formula

C27H24FN3O5 (C27 H24 FN3 O5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{1-[(4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1Cc(cc2)ccc2F)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H24FN3O5/c28-20-10-7-18(8-11-20)16-31-22-5-2-1-4-21(22)26(33)30(27(31)34)13-3-6-25(32)29-15-19-9-12-23-24(14-19)36-17-35-23/h1-2,4-5,7-12,14H,3,6,13,15-17H2,(H,29,32)

InChI Key

OYOWNYBHGYPSDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.63

Polar Surface Area

72.832

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C260-1100 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1100?
Check Price and Availability of C260-1100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C260-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1100
  • 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 C260-1100 available by request