E737-1110 Screening compound: N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}acetamide

E737-1110 Screening compound: N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}acetamide
E737-1110 Screening compound: N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-1110
N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}acetamide

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

E737-1110

Molecular Formula

C26H21FN4O4 (C26 H21 FN4 O4)

Compound Name

N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{8-methoxy-5-methyl-24-dioxo-3-phenyl-1H2H3H4H5H-pyrimido[54-b]indol-1-yl}acetamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1c3ccccc3)=O)c2N(CC(Nc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C26H21FN4O4/c1-29-21-13-12-19(35-2)14-20(21)23-24(29)25(33)31(18-6-4-3-5-7-18)26(34)30(23)15-22(32)28-17-10-8-16(27)9-11-17/h3-14H,15H2,1-2H3,(H,28,32)

InChI Key

IFPMPWSOOYWDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.48

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

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-4.16

Polar Surface Area

64.429

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E737-1110 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

DGK Inhibitors Library (10558 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-1110?
Check Price and Availability of E737-1110, 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 E737-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-1110
  • 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 E737-1110 available by request