SC87-0680 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide

SC87-0680 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide
SC87-0680 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-0680
N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide

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

SC87-0680

Molecular Formula

C25H26FN3O2 (C25 H26 FN3 O2)

Compound Name

N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide

IUPAC name

N-{[2-(4-fluorophenyl)-4-oxo-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl]methyl}-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)NCC(CC1)CCC(N=C(c(cc2)ccc2F)N2)=C1C2=O

InChI

InChI=1S/C25H26FN3O2/c26-20-11-9-19(10-12-20)24-28-22-14-7-18(6-13-21(22)25(31)29-24)16-27-23(30)15-8-17-4-2-1-3-5-17/h1-5,9-12,18H,6-8,13-16H2,(H,27,30)(H,28,29,31)/t18-/m1/s1

InChI Key

MDZDRBAMAQVFPZ-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-3.81

Polar Surface Area

59.393

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with SC87-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-0680?
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What is the minimum amount of SC87-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-0680
  • 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 SC87-0680 available by request