2729-0790 Screening compound: ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate

2729-0790 Screening compound: ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate
2729-0790 Screening compound: ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0790
ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate

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

2729-0790

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate

IUPAC name

ethyl 1-butyl-2-methyl-5-(3-nitrobenzoyloxy)-1H-benzo[g]indole-3-carboxylate

SMILES

CCCCn1c(c2ccccc2c(OC(c2cccc([N+]([O-])=O)c2)=O)c2)c2c(C(OCC)=O)c1C

InChI

InChI=1S/C27H26N2O6/c1-4-6-14-28-17(3)24(27(31)34-5-2)22-16-23(20-12-7-8-13-21(20)25(22)28)35-26(30)18-10-9-11-19(15-18)29(32)33/h7-13,15-16H,4-6,14H2,1-3H3

InChI Key

ODEKLVKSYQNNLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.142

Distribution Coefficient, logD

6.142

Water Solubility, LogSw

-5.67

Polar Surface Area

75.793

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 2729-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0790?
Check Price and Availability of 2729-0790, 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 2729-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0790
  • 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 2729-0790 available by request