0627-0257 Screening compound: pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate

0627-0257 Screening compound: pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
0627-0257 Screening compound: pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0257
pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-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

0627-0257

Molecular Formula

C30H27NO4 (C30 H27 NO4)

Compound Name

pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate

IUPAC name

pentyl 4-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-17-yl}benzoate

SMILES

CCCCCOC(c(cc1)ccc1N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C30H27NO4/c1-2-3-8-17-35-30(34)18-13-15-19(16-14-18)31-28(32)26-24-20-9-4-5-10-21(20)25(27(26)29(31)33)23-12-7-6-11-22(23)24/h4-7,9-16,24-27H,2-3,8,17H2,1H3

InChI Key

XVZTXXSRWHBBCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.54

Polar Surface Area

49.497

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 0627-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0257?
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What is the minimum amount of 0627-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0257
  • 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 0627-0257 available by request