C284-0185 Screening compound: ethyl 4-{6-nitro-4-oxo-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3,4-dihydroquinazolin-3-yl}benzoate

C284-0185 Screening compound: ethyl 4-{6-nitro-4-oxo-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3,4-dihydroquinazolin-3-yl}benzoate
C284-0185 Screening compound: ethyl 4-{6-nitro-4-oxo-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3,4-dihydroquinazolin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0185
ethyl 4-{6-nitro-4-oxo-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3,4-dihydroquinazolin-3-yl}benzoate

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

C284-0185

Molecular Formula

C27H24N4O5 (C27 H24 N4 O5)

Compound Name

ethyl 4-{6-nitro-4-oxo-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3,4-dihydroquinazolin-3-yl}benzoate

IUPAC name

ethyl 4-{6-nitro-4-oxo-2-[(1234-tetrahydroisoquinolin-2-yl)methyl]-34-dihydroquinazolin-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CN(CC1)Cc2c1cccc2)=Nc(cc1)c2cc1[N+]([O-])=O)C2=O)=O

InChI

InChI=1S/C27H24N4O5/c1-2-36-27(33)19-7-9-21(10-8-19)30-25(17-29-14-13-18-5-3-4-6-20(18)16-29)28-24-12-11-22(31(34)35)15-23(24)26(30)32/h3-12,15H,2,13-14,16-17H2,1H3

InChI Key

CHARMIZCTFTGOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.07

Polar Surface Area

82.395

Acid Dissociation Constant (pKa)

18.97

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C284-0185 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C284-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0185?
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What is the minimum amount of C284-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0185
  • 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 C284-0185 available by request