0896-4199 Screening compound: N~1~-[13-(acetylamino)-2,14-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-3-yl]acetamide

0896-4199 Screening compound: N~1~-[13-(acetylamino)-2,14-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-3-yl]acetamide
0896-4199 Screening compound: N~1~-[13-(acetylamino)-2,14-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-4199
N~1~-[13-(acetylamino)-2,14-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-3-yl]acetamide

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

0896-4199

Molecular Formula

C22H24N4O11 (C22 H24 N4 O11)

Compound Name

N~1~-[13-(acetylamino)-2,14-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-3-yl]acetamide

IUPAC name

N-{21-acetamido-822-dinitro-25121518-pentaoxatricyclo[17.4.0.0^{611}]tricosa-1(19)68102022-hexaen-9-yl}acetamide

SMILES

CC(Nc(c([N+]([O-])=O)c1)cc(OCCOCCOc2c3)c1OCCOc2cc([N+]([O-])=O)c3NC(C)=O)=O

InChI

InChI=1S/C22H24N4O11/c1-13(27)23-15-9-19-21(11-17(15)25(29)30)36-7-8-37-22-12-18(26(31)32)16(24-14(2)28)10-20(22)35-6-4-33-3-5-34-19/h9-12H,3-8H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

OEEBUASFNFUPSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.45

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

-0.157

Distribution Coefficient, logD

-0.298

Water Solubility, LogSw

-2.07

Polar Surface Area

151.222

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 0896-4199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-4199?
Check Price and Availability of 0896-4199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0896-4199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-4199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-4199
  • 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 0896-4199 available by request