3271-0350 Screening compound: 17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

3271-0350 Screening compound: 17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
3271-0350 Screening compound: 17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3271-0350
17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-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

3271-0350

Molecular Formula

C25H18INO2 (C25 H18 INO2)

Compound Name

17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(4-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

CC(C(C(C12)C(N3c(cc4)ccc4I)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C25H18INO2/c1-25-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)25)21-22(25)24(29)27(23(21)28)15-12-10-14(26)11-13-15/h2-13,20-22H,1H3

InChI Key

DTFCZBSRKTXCRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01049299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-4.73

Polar Surface Area

28.449

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3271-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3271-0350?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3271-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3271-0350
  • 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 3271-0350 available by request