3773-3664 Screening compound: 17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

3773-3664 Screening compound: 17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
3773-3664 Screening compound: 17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3773-3664
17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(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

3773-3664

Molecular Formula

C29H27NO4 (C29 H27 NO4)

Compound Name

17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

CCCCOc(cc1)ccc1N(C(C(C1C2(CO)c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3

InChI Key

SABCYQXMRZXWBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.32

Polar Surface Area

52.982

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with 3773-3664 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3773-3664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-3664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-3664
  • 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 3773-3664 available by request