8010-8189 Screening compound: 4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate

8010-8189 Screening compound: 4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
8010-8189 Screening compound: 4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8189
4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate

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

8010-8189

Molecular Formula

C28H27N3O6 (C28 H27 N3 O6)

Compound Name

4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate

IUPAC name

4-(2-amino-3-cyano-5-oxo-7-phenyl-5678-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate

SMILES

COc(cc(C1C(C#N)=C(N)OC(CC(C2)c3ccccc3)=C1C2=O)cc1)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C28H27N3O6/c1-34-23-14-18(7-8-22(23)37-28(33)31-9-11-35-12-10-31)25-20(16-29)27(30)36-24-15-19(13-21(32)26(24)25)17-5-3-2-4-6-17/h2-8,14,19,25H,9-13,15,30H2,1H3

InChI Key

KKXRPSITVDSBCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.48

Polar Surface Area

97.553

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

8010-8189 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-8189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8189?
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What is the minimum amount of 8010-8189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8189
  • 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 8010-8189 available by request