SC87-1170 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide

SC87-1170 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide
SC87-1170 Screening compound: N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-1170
N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-3,5-dimethylbenzamide

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

SC87-1170

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}-3,5-dimethylbenzamide

IUPAC name

N-{[2-(4-fluorophenyl)-4-oxo-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl]methyl}-35-dimethylbenzamide

SMILES

Cc1cc(C(NCC(CC2)CCC(N=C(c(cc3)ccc3F)N3)=C2C3=O)=O)cc(C)c1

InChI

InChI=1S/C25H26FN3O2/c1-15-11-16(2)13-19(12-15)24(30)27-14-17-3-9-21-22(10-4-17)28-23(29-25(21)31)18-5-7-20(26)8-6-18/h5-8,11-13,17H,3-4,9-10,14H2,1-2H3,(H,27,30)(H,28,29,31)/t17-/m1/s1

InChI Key

MWKRMBPFTBZPFU-QGZVFWFLSA-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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-4.24

Polar Surface Area

59.606

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 SC87-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-1170?
Check Price and Availability of SC87-1170, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC87-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-1170
  • 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 SC87-1170 available by request