F796-0405 Screening compound: 8-bromo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F796-0405 Screening compound: 8-bromo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F796-0405 Screening compound: 8-bromo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F796-0405
8-bromo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

F796-0405

Molecular Formula

C21H17BrN4O2 (C21 H17 BrN4 O2)

Compound Name

8-bromo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-bromo-3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C(CN(C=Nc1c2[nH]c(cc3)c1cc3Br)C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H17BrN4O2/c22-15-5-6-17-16(9-15)19-20(24-17)21(28)26(12-23-19)11-18(27)25-8-7-13-3-1-2-4-14(13)10-25/h1-6,9,12,24H,7-8,10-11H2

InChI Key

ZQHFWPGGKTTWAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.19

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F796-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F796-0405?
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What is the minimum amount of F796-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F796-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F796-0405
  • 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 F796-0405 available by request