8009-5753 Screening compound: methyl 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

8009-5753 Screening compound: methyl 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
8009-5753 Screening compound: methyl 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5753
methyl 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

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

8009-5753

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

methyl 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

IUPAC name

methyl 4-{1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl}benzoate

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c(cc3)ccc3C(OC)=O)=C2C1=O

InChI

InChI=1S/C23H24N2O3/c1-23(2)12-18-20(19(26)13-23)21(25-17-7-5-4-6-16(17)24-18)14-8-10-15(11-9-14)22(27)28-3/h4-11,21,24-25H,12-13H2,1-3H3/t21-/m0/s1

InChI Key

UYPRCCWAAGAZRE-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.41

Polar Surface Area

57.922

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8009-5753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5753?
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What is the minimum amount of 8009-5753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5753
  • 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 8009-5753 available by request