3490-5437 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3490-5437 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3490-5437 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-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 3490-5437
3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-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

3490-5437

Molecular Formula

C28H25N3O7 (C28 H25 N3 O7)

Compound Name

3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(34-dimethoxyphenyl)-10-(6-nitro-2H-13-benzodioxol-5-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc(ccc(C(C1)CC(Nc(cccc2)c2NC2c(cc3OCOc3c3)c3[N+]([O-])=O)=C2C1=O)c1)c1OC

InChI

InChI=1S/C28H25N3O7/c1-35-23-8-7-15(11-24(23)36-2)16-9-20-27(22(32)10-16)28(30-19-6-4-3-5-18(19)29-20)17-12-25-26(38-14-37-25)13-21(17)31(33)34/h3-8,11-13,16,28-30H,9-10,14H2,1-2H3

InChI Key

NMRUPRKQZFLKFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.41

Polar Surface Area

101.934

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3490-5437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5437?
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What is the minimum amount of 3490-5437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5437
  • 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 3490-5437 available by request