3770-0073 Screening compound: 11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3770-0073 Screening compound: 11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3770-0073 Screening compound: 11-(3-nitrophenyl)-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 3770-0073
11-(3-nitrophenyl)-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

3770-0073

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

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

IUPAC name

10-(3-nitrophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

[O-][N+](c1cc(C2Nc(cccc3)c3NC(CCC3)=C2C3=O)ccc1)=O

InChI

InChI=1S/C19H17N3O3/c23-17-10-4-9-16-18(17)19(12-5-3-6-13(11-12)22(24)25)21-15-8-2-1-7-14(15)20-16/h1-3,5-8,11,19-21H,4,9-10H2/t19-/m0/s1

InChI Key

YRROALCVPAGLLZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02221070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.90

Polar Surface Area

70.130

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3770-0073 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 3770-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3770-0073?
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What is the minimum amount of 3770-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3770-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3770-0073
  • 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 3770-0073 available by request