SC87-0587 Screening compound: 2-morpholino-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide

SC87-0587 Screening compound: 2-morpholino-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide
SC87-0587 Screening compound: 2-morpholino-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-0587
2-morpholino-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide

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

SC87-0587

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

2-morpholino-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide

IUPAC name

2-(morpholin-4-yl)-N-({4-oxo-2-phenyl-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl}methyl)acetamide

SMILES

O=C(CN1CCOCC1)NCC(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O

InChI

InChI=1S/C22H28N4O3/c27-20(15-26-10-12-29-13-11-26)23-14-16-6-8-18-19(9-7-16)24-21(25-22(18)28)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,23,27)(H,24,25,28)/t16-/m1/s1

InChI Key

NJFFSPJIPOHSFS-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.509

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-2.26

Polar Surface Area

71.305

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC87-0587 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 SC87-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-0587?
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What is the minimum amount of SC87-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-0587
  • 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 SC87-0587 available by request