3970-1081 Screening compound: ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

3970-1081 Screening compound: ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate
3970-1081 Screening compound: ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1081
ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-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

3970-1081

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

IUPAC name

ethyl 4-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C1C(C2C3C2)C=CC3C11)=O)C1=O)=O

InChI

InChI=1S/C20H19NO4/c1-2-25-20(24)10-3-5-11(6-4-10)21-18(22)16-12-7-8-13(15-9-14(12)15)17(16)19(21)23/h3-8,12-17H,2,9H2,1H3

InChI Key

ZNPXWDXMSLKEEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.47

Polar Surface Area

49.998

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

45.00

3970-1081 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 3970-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1081?
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What is the minimum amount of 3970-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1081
  • 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 3970-1081 available by request