L213-0001 Screening compound: ethyl 4-[(3-chlorobenzyl)amino][1]benzofuro[3,2-d]pyrimidine-2-carboxylate

L213-0001 Screening compound: ethyl 4-[(3-chlorobenzyl)amino][1]benzofuro[3,2-d]pyrimidine-2-carboxylate
L213-0001 Screening compound: ethyl 4-[(3-chlorobenzyl)amino][1]benzofuro[3,2-d]pyrimidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L213-0001
ethyl 4-[(3-chlorobenzyl)amino][1]benzofuro[3,2-d]pyrimidine-2-carboxylate

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

L213-0001

Molecular Formula

C20H16ClN3O3 (C20 H16 ClN3 O3)

Compound Name

ethyl 4-[(3-chlorobenzyl)amino][1]benzofuro[3,2-d]pyrimidine-2-carboxylate

IUPAC name

ethyl 6-{[(3-chlorophenyl)methyl]amino}-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene-4-carboxylate

SMILES

CCOC(c(nc1NCc2cccc(Cl)c2)nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C20H16ClN3O3/c1-2-26-20(25)19-23-16-14-8-3-4-9-15(14)27-17(16)18(24-19)22-11-12-6-5-7-13(21)10-12/h3-10H,2,11H2,1H3,(H,22,23,24)

InChI Key

ONQCOMLNGNHWQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.90

Polar Surface Area

59.342

Acid Dissociation Constant (pKa)

16.09

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L213-0001 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L213-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L213-0001?
Check Price and Availability of L213-0001, 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 L213-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L213-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L213-0001
  • 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 L213-0001 available by request