C260-1461 Screening compound: 5-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]pentanamide

C260-1461 Screening compound: 5-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]pentanamide
C260-1461 Screening compound: 5-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1461
5-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]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

C260-1461

Molecular Formula

C28H28FN3O4 (C28 H28 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CCCCN(C(c(cccc2)c2N2Cc3cccc(F)c3)=O)C2=O)=O)cccc1

InChI

InChI=1S/C28H28FN3O4/c1-36-25-14-5-2-10-21(25)18-30-26(33)15-6-7-16-31-27(34)23-12-3-4-13-24(23)32(28(31)35)19-20-9-8-11-22(29)17-20/h2-5,8-14,17H,6-7,15-16,18-19H2,1H3,(H,30,33)

InChI Key

AQPRETHVCAORSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.27

Polar Surface Area

63.347

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C260-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1461?
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What is the minimum amount of C260-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1461
  • 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 C260-1461 available by request