8014-5334 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8014-5334 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8014-5334 Screening compound: 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-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 8014-5334
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-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

8014-5334

Molecular Formula

C29H29N3O8 (C29 H29 N3 O8)

Compound Name

11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-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)-14-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1cc(C2Nc(cccc3)c3NC(CC(C3)c(cc4OC)cc(OC)c4OC)=C2C3=O)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C29H29N3O8/c1-37-23-14-17(10-21(28(23)34)32(35)36)27-26-20(30-18-7-5-6-8-19(18)31-27)9-15(11-22(26)33)16-12-24(38-2)29(40-4)25(13-16)39-3/h5-8,10,12-15,27,30-31,34H,9,11H2,1-4H3

InChI Key

DJYXDWKMHGDAOI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-4.34

Polar Surface Area

115.645

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with 8014-5334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5334?
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What is the minimum amount of 8014-5334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5334
  • 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 8014-5334 available by request