3795-0521 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-N~1~-(3-nitrophenyl)hexanamide

3795-0521 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-N~1~-(3-nitrophenyl)hexanamide
3795-0521 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-N~1~-(3-nitrophenyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0521
2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-N~1~-(3-nitrophenyl)hexanamide

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

3795-0521

Molecular Formula

C30H27N3O5 (C30 H27 N3 O5)

Compound Name

2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]-N~1~-(3-nitrophenyl)hexanamide

IUPAC name

2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}-N-(3-nitrophenyl)hexanamide

SMILES

CCCCC(C(Nc1cccc([N+]([O-])=O)c1)=O)N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C30H27N3O5/c1-2-3-15-23(28(34)31-17-9-8-10-18(16-17)33(37)38)32-29(35)26-24-19-11-4-5-12-20(19)25(27(26)30(32)36)22-14-7-6-13-21(22)24/h4-14,16,23-27H,2-3,15H2,1H3,(H,31,34)

InChI Key

UTEAFPXTMLQYLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.79

Polar Surface Area

84.731

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3795-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0521?
Check Price and Availability of 3795-0521, 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 3795-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0521
  • 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 3795-0521 available by request