3170-5209 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl 1-cyclopropanecarboxylate

3170-5209 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl 1-cyclopropanecarboxylate
3170-5209 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-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 3170-5209
2-ethoxy-4-[3-(4-methoxyphenyl)-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

3170-5209

Molecular Formula

C32H32N2O5 (C32 H32 N2 O5)

Compound Name

2-ethoxy-4-[3-(4-methoxyphenyl)-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-[14-(4-methoxyphenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl]phenyl cyclopropanecarboxylate

SMILES

CCOc(cc(C1Nc(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)cc1)c1OC(C1CC1)=O

InChI

InChI=1S/C32H32N2O5/c1-3-38-29-18-21(12-15-28(29)39-32(36)20-8-9-20)31-30-26(33-24-6-4-5-7-25(24)34-31)16-22(17-27(30)35)19-10-13-23(37-2)14-11-19/h4-7,10-15,18,20,22,31,33-34H,3,8-9,16-17H2,1-2H3

InChI Key

KDYMHAUHMVHDIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.50

Polar Surface Area

72.218

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

3170-5209 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 3170-5209 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3170-5209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5209
  • 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 3170-5209 available by request