3966-0237 Screening compound: 4-(3-{4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoyl]piperazino}-3-oxopropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

3966-0237 Screening compound: 4-(3-{4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoyl]piperazino}-3-oxopropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
3966-0237 Screening compound: 4-(3-{4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoyl]piperazino}-3-oxopropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0237
4-(3-{4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoyl]piperazino}-3-oxopropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-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

3966-0237

Molecular Formula

C28H32N4O6 (C28 H32 N4 O6)

Compound Name

4-(3-{4-[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoyl]piperazino}-3-oxopropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-{3-[4-(3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanoyl)piperazin-1-yl]-3-oxopropyl}-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC1)CCN1C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C28H32N4O6/c33-19(5-7-31-25(35)21-15-1-2-16(13-15)22(21)26(31)36)29-9-11-30(12-10-29)20(34)6-8-32-27(37)23-17-3-4-18(14-17)24(23)28(32)38/h1-4,15-18,21-24H,5-14H2

InChI Key

FUOXFHIEQSYXEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.049

Distribution Coefficient, logD

-1.049

Water Solubility, LogSw

-0.43

Polar Surface Area

92.983

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.30

3966-0237 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 3966-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0237?
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What is the minimum amount of 3966-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0237
  • 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 3966-0237 available by request