C260-1596 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C260-1596 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C260-1596 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1596
1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C260-1596

Molecular Formula

C27H23ClFN3O3 (C27 H23 ClFN3 O3)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(CCN(C(c(cccc1)c1N1Cc(ccc(F)c2)c2Cl)=O)C1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C27H23ClFN3O3/c28-23-15-21(29)10-9-20(23)17-32-24-8-4-3-7-22(24)26(34)31(27(32)35)14-12-25(33)30-13-11-18-5-1-2-6-19(18)16-30/h1-10,15H,11-14,16-17H2

InChI Key

CCHVDPFXLLYSKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.91

Polar Surface Area

47.300

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C260-1596 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C260-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1596?
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What is the minimum amount of C260-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1596
  • 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 C260-1596 available by request