SC87-1174 Screening compound: 3-chloro-4-fluoro-N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide

SC87-1174 Screening compound: 3-chloro-4-fluoro-N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide
SC87-1174 Screening compound: 3-chloro-4-fluoro-N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-1174
3-chloro-4-fluoro-N~1~-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}benzamide

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

SC87-1174

Molecular Formula

C23H20ClF2N3O2 (C23 H20 ClF2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(Cl)c1F)NCC(CC1)CCC(N=C(c(cc2)ccc2F)N2)=C1C2=O

InChI

InChI=1S/C23H20ClF2N3O2/c24-18-11-15(5-9-19(18)26)22(30)27-12-13-1-8-17-20(10-2-13)28-21(29-23(17)31)14-3-6-16(25)7-4-14/h3-7,9,11,13H,1-2,8,10,12H2,(H,27,30)(H,28,29,31)/t13-/m0/s1

InChI Key

MMOQBTCRLVZXGN-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.88

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

3.794

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-4.49

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

26.09

References: we are preparing a list of scientific research reports with SC87-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-1174?
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What is the minimum amount of SC87-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-1174
  • 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 SC87-1174 available by request