E130-0623 Screening compound: 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-5H-chromeno[4,3-d]pyrimidin-2-amine

E130-0623 Screening compound: 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-5H-chromeno[4,3-d]pyrimidin-2-amine
E130-0623 Screening compound: 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-5H-chromeno[4,3-d]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0623
4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-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

E130-0623

Molecular Formula

C24H15ClF3N3O (C24 H15 ClF3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(Nc2nc(-c(cccc3)c3OC3)c3c(-c3cccc(Cl)c3)n2)c1)(F)F

InChI

InChI=1S/C24H15ClF3N3O/c25-16-7-3-5-14(11-16)21-19-13-32-20-10-2-1-9-18(20)22(19)31-23(30-21)29-17-8-4-6-15(12-17)24(26,27)28/h1-12H,13H2,(H,29,30,31)

InChI Key

WYOVJUAIZVCSAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.592

Distribution Coefficient, logD

7.592

Water Solubility, LogSw

-6.87

Polar Surface Area

38.315

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E130-0623 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E130-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0623?
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What is the minimum amount of E130-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0623
  • 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 E130-0623 available by request