3046-8082 Screening compound: 10-acetyl-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8082 Screening compound: 10-acetyl-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8082 Screening compound: 10-acetyl-3,3-dimethyl-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 3046-8082
10-acetyl-3,3-dimethyl-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

3046-8082

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

9-acetyl-1414-dimethyl-10-(3-nitrophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3cccc([N+]([O-])=O)c3)C(C)=O)=C2C1=O

InChI

InChI=1S/C23H23N3O4/c1-14(27)25-19-10-5-4-9-17(19)24-18-12-23(2,3)13-20(28)21(18)22(25)15-7-6-8-16(11-15)26(29)30/h4-11,22,24H,12-13H2,1-3H3/t22-/m0/s1

InChI Key

HVSAVGXUSWOHLP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01210473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.11

Polar Surface Area

73.286

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 3046-8082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8082?
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What is the minimum amount of 3046-8082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8082
  • 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 3046-8082 available by request