E475-0398 Screening compound: 1-benzyl-4-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

E475-0398 Screening compound: 1-benzyl-4-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine
E475-0398 Screening compound: 1-benzyl-4-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0398
1-benzyl-4-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

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

E475-0398

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

1-benzyl-4-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

IUPAC name

1-benzyl-4-{8-methyl-4H-chromeno[34-d][12]oxazole-3-carbonyl}piperazine

SMILES

Cc(cc1)cc-2c1OCc1c2onc1C(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C23H23N3O3/c1-16-7-8-20-18(13-16)22-19(15-28-20)21(24-29-22)23(27)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3

InChI Key

GSLFGWYDQCUSPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.41

Polar Surface Area

50.957

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E475-0398 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E475-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0398?
Check Price and Availability of E475-0398, 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 E475-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0398
  • 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 E475-0398 available by request