1781-2027 Screening compound: 3,3-dimethyl-12-(4-nitrophenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1781-2027 Screening compound: 3,3-dimethyl-12-(4-nitrophenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1781-2027 Screening compound: 3,3-dimethyl-12-(4-nitrophenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2027
3,3-dimethyl-12-(4-nitrophenyl)-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

1781-2027

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

3,3-dimethyl-12-(4-nitrophenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

33-dimethyl-12-(4-nitrophenyl)-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)ccc4[N+]([O-])=O)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C25H22N2O3/c1-25(2)13-20-24(21(28)14-25)22(16-7-10-17(11-8-16)27(29)30)23-18-6-4-3-5-15(18)9-12-19(23)26-20/h3-12,22,26H,13-14H2,1-2H3/t22-/m0/s1

InChI Key

HHYWDJNNVCCUOM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00785398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.673

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-6.68

Polar Surface Area

57.380

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 1781-2027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2027?
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What is the minimum amount of 1781-2027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2027
  • 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 1781-2027 available by request