3045-0229 Screening compound: 3,3-dimethyl-10-propionyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3045-0229 Screening compound: 3,3-dimethyl-10-propionyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3045-0229 Screening compound: 3,3-dimethyl-10-propionyl-11-(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 3045-0229
3,3-dimethyl-10-propionyl-11-(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

3045-0229

Molecular Formula

C27H32N2O5 (C27 H32 N2 O5)

Compound Name

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

IUPAC name

1414-dimethyl-9-propanoyl-10-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(cc2OC)cc(OC)c2OC)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C27H32N2O5/c1-7-23(31)29-19-11-9-8-10-17(19)28-18-14-27(2,3)15-20(30)24(18)25(29)16-12-21(32-4)26(34-6)22(13-16)33-5/h8-13,25,28H,7,14-15H2,1-6H3/t25-/m0/s1

InChI Key

GYIBCSJATVPADK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01654966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.40

Polar Surface Area

61.887

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with 3045-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3045-0229?
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What is the minimum amount of 3045-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3045-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3045-0229
  • 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 3045-0229 available by request