3393-0129 Screening compound: 3,3-dimethyl-11-(5-methyl-2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0129 Screening compound: 3,3-dimethyl-11-(5-methyl-2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0129 Screening compound: 3,3-dimethyl-11-(5-methyl-2-furyl)-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 3393-0129
3,3-dimethyl-11-(5-methyl-2-furyl)-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

3393-0129

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

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

IUPAC name

1414-dimethyl-10-(5-methylfuran-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c3ccc(C)o3)=C2C1=O

InChI

InChI=1S/C20H22N2O2/c1-12-8-9-17(24-12)19-18-15(10-20(2,3)11-16(18)23)21-13-6-4-5-7-14(13)22-19/h4-9,19,21-22H,10-11H2,1-3H3/t19-/m0/s1

InChI Key

KOGCTZKGWFPLTN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01471114

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.08

Polar Surface Area

44.841

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

3393-0129 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3393-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3393-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0129
  • 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 3393-0129 available by request