E948-1242 Screening compound: 2,6-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide

E948-1242 Screening compound: 2,6-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide
E948-1242 Screening compound: 2,6-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-1242
2,6-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidine-5-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

E948-1242

Molecular Formula

C20H19F3N4O3 (C20 H19 F3 N4 O3)

Compound Name

2,6-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

26-dimethyl-4-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(Nc2cccc(C(F)(F)F)c2)=O)c2c(N3CCOCC3)nc(C)nc2o1

InChI

InChI=1S/C20H19F3N4O3/c1-11-15(18(28)26-14-5-3-4-13(10-14)20(21,22)23)16-17(27-6-8-29-9-7-27)24-12(2)25-19(16)30-11/h3-5,10H,6-9H2,1-2H3,(H,26,28)

InChI Key

KELFNFHSOFQESN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.51

Polar Surface Area

60.928

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E948-1242 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 E948-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-1242?
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What is the minimum amount of E948-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-1242
  • 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 E948-1242 available by request