2914-0393 Screening compound: 17-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

2914-0393 Screening compound: 17-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
2914-0393 Screening compound: 17-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2914-0393
17-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

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

2914-0393

Molecular Formula

C32H22N2O2S (C32 H22 N2 O2 S)

Compound Name

17-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

IUPAC name

17-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1N(C(C(C1C3c4c5cccc4)C5c4c3cccc4)=O)C1=O)s2

InChI

InChI=1S/C32H22N2O2S/c1-17-10-15-24-25(16-17)37-30(33-24)18-11-13-19(14-12-18)34-31(35)28-26-20-6-2-3-7-21(20)27(29(28)32(34)36)23-9-5-4-8-22(23)26/h2-16,26-29H,1H3

InChI Key

FDPFTHGTRKQKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

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

5.999

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-5.66

Polar Surface Area

37.898

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.60

2914-0393 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2914-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2914-0393?
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What is the minimum amount of 2914-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2914-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2914-0393
  • 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 2914-0393 available by request