C260-2453 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide

C260-2453 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide
C260-2453 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2453
4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide

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

C260-2453

Molecular Formula

C27H26FN3O4 (C27 H26 FN3 O4)

Compound Name

4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide

IUPAC name

4-({1-[(3-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}methyl)-N-(3-methoxypropyl)benzamide

SMILES

COCCCNC(c1ccc(CN(C(c(cccc2)c2N2Cc3cccc(F)c3)=O)C2=O)cc1)=O

InChI

InChI=1S/C27H26FN3O4/c1-35-15-5-14-29-25(32)21-12-10-19(11-13-21)17-31-26(33)23-8-2-3-9-24(23)30(27(31)34)18-20-6-4-7-22(28)16-20/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,29,32)

InChI Key

KPAQXPHGRYJJDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.93

Polar Surface Area

64.136

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C260-2453 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 C260-2453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2453?
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What is the minimum amount of C260-2453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2453
  • 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 C260-2453 available by request