1653-0059 Screening compound: ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate

1653-0059 Screening compound: ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate
1653-0059 Screening compound: ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1653-0059
ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate

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

1653-0059

Molecular Formula

C24H25N3O5 (C24 H25 N3 O5)

Compound Name

ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate

IUPAC name

ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-2H3H3aH4H5H-benzo[g]indazol-2-yl]but-2-enoate

SMILES

CCOC(/C=C(\C)/N(C(C1CC2)c3cccc([N+]([O-])=O)c3)N=C1c1c2ccc(OC)c1)=O

InChI

InChI=1S/C24H25N3O5/c1-4-32-22(28)12-15(2)26-24(17-6-5-7-18(13-17)27(29)30)20-11-9-16-8-10-19(31-3)14-21(16)23(20)25-26/h5-8,10,12-14,20,24H,4,9,11H2,1-3H3

InChI Key

YHTCPFIOSKDRNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.53

Polar Surface Area

72.965

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1653-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1653-0059?
Check Price and Availability of 1653-0059, 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 1653-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1653-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1653-0059
  • 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 1653-0059 available by request