E130-0822 Screening compound: 4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[4,3-d]pyrimidin-2-amine

E130-0822 Screening compound: 4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[4,3-d]pyrimidin-2-amine
E130-0822 Screening compound: 4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[4,3-d]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0822
4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[4,3-d]pyrimidin-2-amine

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

E130-0822

Molecular Formula

C24H17ClFN3O (C24 H17 ClFN3 O)

Compound Name

4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[4,3-d]pyrimidin-2-amine

IUPAC name

4-(3-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-5H-chromeno[43-d]pyrimidin-2-amine

SMILES

CN(c(cc1)ccc1F)c1nc(-c(cccc2)c2OC2)c2c(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C24H17ClFN3O/c1-29(18-11-9-17(26)10-12-18)24-27-22(15-5-4-6-16(25)13-15)20-14-30-21-8-3-2-7-19(21)23(20)28-24/h2-13H,14H2,1H3

InChI Key

VSGCJWJFYUSLFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

6.189

Water Solubility, LogSw

-6.31

Polar Surface Area

29.368

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E130-0822 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E130-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0822?
Check Price and Availability of E130-0822, 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 E130-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0822
  • 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 E130-0822 available by request