4237-0533 Screening compound: N-[1]benzofuro[3,2-d]pyrimidin-4-yl-N-(4-fluorophenyl)amine

4237-0533 Screening compound: N-[1]benzofuro[3,2-d]pyrimidin-4-yl-N-(4-fluorophenyl)amine
4237-0533 Screening compound: N-[1]benzofuro[3,2-d]pyrimidin-4-yl-N-(4-fluorophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0533
N-[1]benzofuro[3,2-d]pyrimidin-4-yl-N-(4-fluorophenyl)amine

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

4237-0533

Molecular Formula

C16H10FN3O (C16 H10 FN3 O)

Compound Name

N-[1]benzofuro[3,2-d]pyrimidin-4-yl-N-(4-fluorophenyl)amine

IUPAC name

N-(4-fluorophenyl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-amine

SMILES

Fc(cc1)ccc1Nc1ncnc2c1oc1c2cccc1

InChI

InChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-16-15-14(18-9-19-16)12-3-1-2-4-13(12)21-15/h1-9H,(H,18,19,20)

InChI Key

QROGSQJBFYYBMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01898164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.51

Polar Surface Area

38.505

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4237-0533 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4237-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0533?
Check Price and Availability of 4237-0533, 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 4237-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0533
  • 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 4237-0533 available by request