3379-1367 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

3379-1367 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide
3379-1367 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1367
2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

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

3379-1367

Molecular Formula

C27H20N2O2S (C27 H20 N2 O2 S)

Compound Name

2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

IUPAC name

2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)sc2c1CCCC2

InChI

InChI=1S/C27H20N2O2S/c28-13-19-14-7-5-6-12-20(14)32-27(19)29-25(30)23-21-15-8-1-2-9-16(15)22(24(23)26(29)31)18-11-4-3-10-17(18)21/h1-4,8-11,21-24H,5-7,12H2

InChI Key

UAGGBEBMAOOQGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.69

Polar Surface Area

46.495

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 3379-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1367?
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What is the minimum amount of 3379-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1367
  • 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 3379-1367 available by request