F796-0168 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide

F796-0168 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide
F796-0168 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F796-0168
2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide

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

F796-0168

Molecular Formula

C19H18N4O3 (C19 H18 N4 O3)

Compound Name

2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-{8-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN(C=Nc2c3[nH]c4c2cc(C)cc4)C3=O)=O)o1

InChI

InChI=1S/C19H18N4O3/c1-11-3-6-15-14(7-11)17-18(22-15)19(25)23(10-21-17)9-16(24)20-8-13-5-4-12(2)26-13/h3-7,10,22H,8-9H2,1-2H3,(H,20,24)

InChI Key

WVNIRHDRZIOAKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.76

Polar Surface Area

66.031

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F796-0168 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F796-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F796-0168?
Check Price and Availability of F796-0168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F796-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F796-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F796-0168
  • 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 F796-0168 available by request