E754-0489 Screening compound: 3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

E754-0489 Screening compound: 3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
E754-0489 Screening compound: 3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-0489
3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

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

E754-0489

Molecular Formula

C22H20ClNO3 (C22 H20 ClNO3)

Compound Name

3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

IUPAC name

4-(3-chloro-4-methylphenyl)-618-dioxa-4-azatetracyclo[8.8.0.0^{27}.0^{1116}]octadeca-17911(16)-tetraen-17-one

SMILES

Cc(ccc(N(C1)COc(cc2)c1c(O1)c2C(CCCC2)=C2C1=O)c1)c1Cl

InChI

InChI=1S/C22H20ClNO3/c1-13-6-7-14(10-19(13)23)24-11-18-20(26-12-24)9-8-16-15-4-2-3-5-17(15)22(25)27-21(16)18/h6-10H,2-5,11-12H2,1H3

InChI Key

DBQKJCBKYZPQMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04163841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

6.029

Water Solubility, LogSw

-6.03

Polar Surface Area

33.069

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E754-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-0489?
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What is the minimum amount of E754-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-0489
  • 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 E754-0489 available by request