SC87-1044 Screening compound: 2-ethoxy-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide

SC87-1044 Screening compound: 2-ethoxy-N~1~-[(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl)methyl]acetamide
SC87-1044 Screening compound: 2-ethoxy-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 SC87-1044
2-ethoxy-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

SC87-1044

Molecular Formula

C20H25N3O3 (C20 H25 N3 O3)

Compound Name

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

IUPAC name

2-ethoxy-N-({4-oxo-2-phenyl-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-7-yl}methyl)acetamide

SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-2-26-13-18(24)21-12-14-8-10-16-17(11-9-14)22-19(23-20(16)25)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,21,24)(H,22,23,25)/t14-/m1/s1

InChI Key

VCQOORSFYBPTLU-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.196

Water Solubility, LogSw

-2.19

Polar Surface Area

67.723

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with SC87-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC87-1044?
Check Price and Availability of SC87-1044, 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 SC87-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC87-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC87-1044
  • 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 SC87-1044 available by request