F462-0501 Screening compound: ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamido)benzoate

F462-0501 Screening compound: ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamido)benzoate
F462-0501 Screening compound: ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0501
ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamido)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

F462-0501

Molecular Formula

C24H20ClN5O5 (C24 H20 ClN5 O5)

Compound Name

ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(c1c(C(N2Cc(cccc3)c3Cl)=O)nccn1)C2=O)=O)=O

InChI

InChI=1S/C24H20ClN5O5/c1-2-35-23(33)15-7-9-17(10-8-15)28-19(31)14-29-21-20(26-11-12-27-21)22(32)30(24(29)34)13-16-5-3-4-6-18(16)25/h3-12H,2,13-14H2,1H3,(H,28,31)

InChI Key

NEHLZAQSZGRLGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.24

Polar Surface Area

95.410

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F462-0501 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F462-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0501?
Check Price and Availability of F462-0501, 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 F462-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0501
  • 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 F462-0501 available by request