E947-0799 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

E947-0799 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
E947-0799 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0799
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-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

E947-0799

Molecular Formula

C25H31FN4O3 (C25 H31 FN4 O3)

Compound Name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

CC(C)CN(C=Nc1c2c(C(NCC3CCN(Cc(cc4)ccc4F)CC3)=O)c(C)o1)C2=O

InChI

InChI=1S/C25H31FN4O3/c1-16(2)13-30-15-28-24-22(25(30)32)21(17(3)33-24)23(31)27-12-18-8-10-29(11-9-18)14-19-4-6-20(26)7-5-19/h4-7,15-16,18H,8-14H2,1-3H3,(H,27,31)

InChI Key

UYBBNGUYMMXTHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-3.20

Polar Surface Area

62.139

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E947-0799 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E947-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0799?
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What is the minimum amount of E947-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0799
  • 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 E947-0799 available by request