N036-0106 Screening compound: (11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

N036-0106 Screening compound: (11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
N036-0106 Screening compound: (11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N036-0106
(11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

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

N036-0106

Molecular Formula

C21H31NO9 (C21 H31 NO9)

Compound Name

(11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

IUPAC name

(4S6R7S11Z)-4-hydroxy-4-(1-hydroxyethyl)-6714-trimethyl-3817-trioxo-29-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

SMILES

CC([C@@](C[C@@H](C)[C@@](C)(C(OC/C(/C1=O)=C/CN(C)CCC1O1)=O)OC(C)=O)(C1=O)O)O

InChI

InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13?,16?,20+,21+/m1/s1

InChI Key

MPJBVZKNLCGQHF-OHRGSGORSA-N

MDL Number (MFCD)

MFCD01533828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.024

Distribution Coefficient, logD

-2.242

Water Solubility, LogSw

-0.21

Polar Surface Area

111.822

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

71.40

N036-0106 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N036-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N036-0106?
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What is the minimum amount of N036-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N036-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N036-0106
  • 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 N036-0106 available by request