8016-6472 Screening compound: 7-(4-fluorophenyl)-6H-chromeno[4',3':4,5]pyrimido[1,2-a][1,3]benzimidazole

8016-6472 Screening compound: 7-(4-fluorophenyl)-6H-chromeno[4',3':4,5]pyrimido[1,2-a][1,3]benzimidazole
8016-6472 Screening compound: 7-(4-fluorophenyl)-6H-chromeno[4',3':4,5]pyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6472
7-(4-fluorophenyl)-6H-chromeno[4',3':4,5]pyrimido[1,2-a][1,3]benzimidazole

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

8016-6472

Molecular Formula

C23H14FN3O (C23 H14 FN3 O)

Compound Name

7-(4-fluorophenyl)-6H-chromeno[4',3':4,5]pyrimido[1,2-a][1,3]benzimidazole

IUPAC name

2-(4-fluorophenyl)-20-oxa-31012-triazapentacyclo[11.8.0.0^{311}.0^{49}.0^{1419}]henicosa-1468101214(19)1517-nonaene

SMILES

Fc(cc1)ccc1-c1c(COc2c-3cccc2)c3nc2nc(cccc3)c3n12

InChI

InChI=1S/C23H14FN3O/c24-15-11-9-14(10-12-15)22-17-13-28-20-8-4-1-5-16(20)21(17)26-23-25-18-6-2-3-7-19(18)27(22)23/h1-12H,13H2

InChI Key

SAPAEYXPDVJVKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.95

Polar Surface Area

28.976

Acid Dissociation Constant (pKa)

31.52

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8016-6472 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6472?
Check Price and Availability of 8016-6472, 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 8016-6472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6472
  • 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 8016-6472 available by request