1653-0005 Screening compound: ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate

1653-0005 Screening compound: ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate
1653-0005 Screening compound: ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1653-0005
ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-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

1653-0005

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]but-2-enoate

IUPAC name

ethyl (2E)-3-[7-methoxy-3-(4-methoxyphenyl)-2H3H3aH4H5H-benzo[g]indazol-2-yl]but-2-enoate

SMILES

CCOC(/C=C(\C)/N(C(C1CC2)c(cc3)ccc3OC)N=C1c(cc1)c2cc1OC)=O

InChI

InChI=1S/C25H28N2O4/c1-5-31-23(28)14-16(2)27-25(17-6-9-19(29-3)10-7-17)22-12-8-18-15-20(30-4)11-13-21(18)24(22)26-27/h6-7,9-11,13-15,22,25H,5,8,12H2,1-4H3

InChI Key

FJTFTZVGRDPERP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.52

Polar Surface Area

47.128

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 1653-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1653-0005?
Check Price and Availability of 1653-0005, 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 1653-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1653-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1653-0005
  • 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 1653-0005 available by request