SC87-0583 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide

SC87-0583 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide
SC87-0583 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-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 SC87-0583
2-(3,5-dimethyl-1H-pyrazol-1-yl)-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

SC87-0583

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

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

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-N-({4-oxo-2-phenyl-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl}methyl)acetamide

SMILES

Cc1cc(C)nn1CC(NCC(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O)=O

InChI

InChI=1S/C23H27N5O2/c1-15-12-16(2)28(27-15)14-21(29)24-13-17-8-10-19-20(11-9-17)25-22(26-23(19)30)18-6-4-3-5-7-18/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,24,29)(H,25,26,30)/t17-/m1/s1

InChI Key

QAJARTMNOHJPHH-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-2.39

Polar Surface Area

73.400

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with SC87-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-0583?
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What is the minimum amount of SC87-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-0583
  • 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 SC87-0583 available by request