3490-5527 Screening compound: 2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 1-cyclopropanecarboxylate

3490-5527 Screening compound: 2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 1-cyclopropanecarboxylate
3490-5527 Screening compound: 2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 1-cyclopropanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5527
2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 1-cyclopropanecarboxylate

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

3490-5527

Molecular Formula

C29H34N2O4 (C29 H34 N2 O4)

Compound Name

2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 1-cyclopropanecarboxylate

IUPAC name

2-ethoxy-4-{561414-tetramethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl}phenyl cyclopropanecarboxylate

SMILES

CCOc(cc(C1Nc(cc(C)c(C)c2)c2NC(CC(C)(C)C2)=C1C2=O)cc1)c1OC(C1CC1)=O

InChI

InChI=1S/C29H34N2O4/c1-6-34-25-13-19(9-10-24(25)35-28(33)18-7-8-18)27-26-22(14-29(4,5)15-23(26)32)30-20-11-16(2)17(3)12-21(20)31-27/h9-13,18,27,30-31H,6-8,14-15H2,1-5H3/t27-/m0/s1

InChI Key

YZDRUFGBFNSKOU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02104292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-5.46

Polar Surface Area

64.946

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

11.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

3490-5527 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 3490-5527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5527?
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What is the minimum amount of 3490-5527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5527
  • 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 3490-5527 available by request