SD54-0033 Screening compound: N~7~-benzyl-4-methoxy-N~7~-methyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide

SD54-0033 Screening compound: N~7~-benzyl-4-methoxy-N~7~-methyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
SD54-0033 Screening compound: N~7~-benzyl-4-methoxy-N~7~-methyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD54-0033
N~7~-benzyl-4-methoxy-N~7~-methyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide

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

SD54-0033

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

N~7~-benzyl-4-methoxy-N~7~-methyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide

IUPAC name

n/a

SMILES

CN(Cc1ccccc1)C(C(CC1)CCc2c1c(OC)nc(-c1ccccc1)n2)=O

InChI

InChI=1S/C25H27N3O2/c1-28(17-18-9-5-3-6-10-18)25(29)20-13-15-21-22(16-14-20)26-23(27-24(21)30-2)19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3/t20-/m0/s1

InChI Key

NLWJVTBSYWDKRV-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.517

Distribution Coefficient, logD

5.517

Water Solubility, LogSw

-5.47

Polar Surface Area

44.742

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

SD54-0033 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD54-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD54-0033?
Check Price and Availability of SD54-0033, 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 SD54-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD54-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD54-0033
  • 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 SD54-0033 available by request