1883-0024 Screening compound: 12-[2-(benzyloxy)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1883-0024 Screening compound: 12-[2-(benzyloxy)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1883-0024 Screening compound: 12-[2-(benzyloxy)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1883-0024
12-[2-(benzyloxy)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

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

1883-0024

Molecular Formula

C32H29NO2 (C32 H29 NO2)

Compound Name

12-[2-(benzyloxy)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

12-[2-(benzyloxy)phenyl]-33-dimethyl-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cccc4)c4OCc4ccccc4)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C32H29NO2/c1-32(2)18-26-31(27(34)19-32)30(29-23-13-7-6-12-22(23)16-17-25(29)33-26)24-14-8-9-15-28(24)35-20-21-10-4-3-5-11-21/h3-17,30,33H,18-20H2,1-2H3/t30-/m0/s1

InChI Key

OXPDTYLMKFULLI-PMERELPUSA-N

MDL Number (MFCD)

MFCD00816357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.463

Distribution Coefficient, logD

7.457

Water Solubility, LogSw

-6.96

Polar Surface Area

31.312

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

1883-0024 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 1883-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1883-0024?
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What is the minimum amount of 1883-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1883-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1883-0024
  • 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 1883-0024 available by request