L331-0257 Screening compound: 4-morpholino-N~2~-[4-(trifluoromethoxy)phenyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0257 Screening compound: 4-morpholino-N~2~-[4-(trifluoromethoxy)phenyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0257 Screening compound: 4-morpholino-N~2~-[4-(trifluoromethoxy)phenyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0257
4-morpholino-N~2~-[4-(trifluoromethoxy)phenyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide

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

L331-0257

Molecular Formula

C22H17F3N4O4 (C22 H17 F3 N4 O4)

Compound Name

4-morpholino-N~2~-[4-(trifluoromethoxy)phenyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide

IUPAC name

6-(morpholin-4-yl)-N-[4-(trifluoromethoxy)phenyl]-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene-4-carboxamide

SMILES

O=C(c1nc(N2CCOCC2)c2oc(cccc3)c3c2n1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H17F3N4O4/c23-22(24,25)33-14-7-5-13(6-8-14)26-21(30)19-27-17-15-3-1-2-4-16(15)32-18(17)20(28-19)29-9-11-31-12-10-29/h1-8H,9-12H2,(H,26,30)

InChI Key

AUTWDBQSFKDRDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.57

Polar Surface Area

68.036

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L331-0257 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L331-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0257?
Check Price and Availability of L331-0257, 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 L331-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0257
  • 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 L331-0257 available by request