L331-0195 Screening compound: methyl 2-{[(4-morpholino[1]benzofuro[3,2-d]pyrimidin-2-yl)carbonyl]amino}benzoate

L331-0195 Screening compound: methyl 2-{[(4-morpholino[1]benzofuro[3,2-d]pyrimidin-2-yl)carbonyl]amino}benzoate
L331-0195 Screening compound: methyl 2-{[(4-morpholino[1]benzofuro[3,2-d]pyrimidin-2-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0195
methyl 2-{[(4-morpholino[1]benzofuro[3,2-d]pyrimidin-2-yl)carbonyl]amino}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

L331-0195

Molecular Formula

C23H20N4O5 (C23 H20 N4 O5)

Compound Name

methyl 2-{[(4-morpholino[1]benzofuro[3,2-d]pyrimidin-2-yl)carbonyl]amino}benzoate

IUPAC name

methyl 2-[6-(morpholin-4-yl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1nc(N2CCOCC2)c2oc(cccc3)c3c2n1)=O)=O

InChI

InChI=1S/C23H20N4O5/c1-30-23(29)14-6-2-4-8-16(14)24-22(28)20-25-18-15-7-3-5-9-17(15)32-19(18)21(26-20)27-10-12-31-13-11-27/h2-9H,10-13H2,1H3,(H,24,28)

InChI Key

AOXOHBMUOABVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.05

Polar Surface Area

82.576

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L331-0195 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L331-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0195?
Check Price and Availability of L331-0195, 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 L331-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0195
  • 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 L331-0195 available by request