SC87-0557 Screening compound: 3,5-dimethyl-N~4~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-4-isoxazolecarboxamide

SC87-0557 Screening compound: 3,5-dimethyl-N~4~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-4-isoxazolecarboxamide
SC87-0557 Screening compound: 3,5-dimethyl-N~4~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-0557
3,5-dimethyl-N~4~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]-4-isoxazolecarboxamide

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

SC87-0557

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

35-dimethyl-N-({4-oxo-2-phenyl-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl}methyl)-12-oxazole-4-carboxamide

SMILES

Cc1noc(C)c1C(NCC(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O)=O

InChI

InChI=1S/C22H24N4O3/c1-13-19(14(2)29-26-13)22(28)23-12-15-8-10-17-18(11-9-15)24-20(25-21(17)27)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,23,28)(H,24,25,27)/t15-/m1/s1

InChI Key

QXMVIFGLSMBOAJ-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.63

Polar Surface Area

81.644

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with SC87-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SC87-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-0557
  • 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 SC87-0557 available by request