SC87-1040 Screening compound: 5-chloro-2-methoxy-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]benzamide

SC87-1040 Screening compound: 5-chloro-2-methoxy-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]benzamide
SC87-1040 Screening compound: 5-chloro-2-methoxy-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC87-1040
5-chloro-2-methoxy-N~1~-[(4-oxo-2-phenyl-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

SC87-1040

Molecular Formula

C24H24ClN3O3 (C24 H24 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1C(NCC(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O)=O

InChI

InChI=1S/C24H24ClN3O3/c1-31-21-12-9-17(25)13-19(21)23(29)26-14-15-7-10-18-20(11-8-15)27-22(28-24(18)30)16-5-3-2-4-6-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,26,29)(H,27,28,30)/t15-/m0/s1

InChI Key

FHGACLIRPJAXPB-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.59

Polar Surface Area

67.237

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with SC87-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-1040?
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What is the minimum amount of SC87-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-1040
  • 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 SC87-1040 available by request