1834-0011 Screening compound: 4-(3,3-dimethyl-1-oxo-1,2,3,4,5,12-hexahydro-5-azatetraphen-12-yl)phenyl acetate

1834-0011 Screening compound: 4-(3,3-dimethyl-1-oxo-1,2,3,4,5,12-hexahydro-5-azatetraphen-12-yl)phenyl acetate
1834-0011 Screening compound: 4-(3,3-dimethyl-1-oxo-1,2,3,4,5,12-hexahydro-5-azatetraphen-12-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1834-0011
4-(3,3-dimethyl-1-oxo-1,2,3,4,5,12-hexahydro-5-azatetraphen-12-yl)phenyl acetate

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

1834-0011

Molecular Formula

C27H25NO3 (C27 H25 NO3)

Compound Name

4-(3,3-dimethyl-1-oxo-1,2,3,4,5,12-hexahydro-5-azatetraphen-12-yl)phenyl acetate

IUPAC name

4-(33-dimethyl-1-oxo-1234512-hexahydro-5-azatetraphen-12-yl)phenyl acetate

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)ccc4OC(C)=O)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C27H25NO3/c1-16(29)31-19-11-8-18(9-12-19)24-25-20-7-5-4-6-17(20)10-13-21(25)28-22-14-27(2,3)15-23(30)26(22)24/h4-13,24,28H,14-15H2,1-3H3/t24-/m0/s1

InChI Key

BPTHWEQPIPUWQX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00816352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-6.20

Polar Surface Area

44.749

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

1834-0011 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1834-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1834-0011?
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What is the minimum amount of 1834-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1834-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1834-0011
  • 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 1834-0011 available by request