8019-9715 Screening compound: 3-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether

8019-9715 Screening compound: 3-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
8019-9715 Screening compound: 3-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9715
3-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether

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

8019-9715

Molecular Formula

C29H32ClN3O (C29 H32 ClN3 O)

Compound Name

3-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether

IUPAC name

16-(4-chlorophenyl)-19-(3-methoxyphenyl)-131418-triazatricyclo[10.7.0.0^{1317}]nonadeca-1(12)141618-tetraene

SMILES

COc1cccc(-c(c(CCCCCCCCCC2)c2n2nc3)nc2c3-c(cc2)ccc2Cl)c1

InChI

InChI=1S/C29H32ClN3O/c1-34-24-12-10-11-22(19-24)28-25-13-8-6-4-2-3-5-7-9-14-27(25)33-29(32-28)26(20-31-33)21-15-17-23(30)18-16-21/h10-12,15-20H,2-9,13-14H2,1H3

InChI Key

XXQJZDAPQFHBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.05

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.077

Distribution Coefficient, logD

9.077

Water Solubility, LogSw

-6.57

Polar Surface Area

28.810

Acid Dissociation Constant (pKa)

27.90

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with 8019-9715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9715?
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What is the minimum amount of 8019-9715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9715
  • 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 8019-9715 available by request