3393-0140 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0140 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0140 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3393-0140
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-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

3393-0140

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(4-hydroxy-3-methoxy-5-nitrophenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c(cc3OC)cc([N+]([O-])=O)c3O)=C2C1=O

InChI

InChI=1S/C22H23N3O5/c1-22(2)10-15-19(17(26)11-22)20(24-14-7-5-4-6-13(14)23-15)12-8-16(25(28)29)21(27)18(9-12)30-3/h4-9,20,23-24,27H,10-11H2,1-3H3/t20-/m0/s1

InChI Key

UHCONLRSHXQHRS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01829331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-4.10

Polar Surface Area

92.938

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

3393-0140 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3393-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3393-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0140
  • 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 3393-0140 available by request