E734-2117 Screening compound: methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate

E734-2117 Screening compound: methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate
E734-2117 Screening compound: methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2117
methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate

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

E734-2117

Molecular Formula

C18H23N3O6S (C18 H23 N3 O6 S)

Compound Name

methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate

IUPAC name

methyl 2-{3-[(4-methylcyclohexyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate

SMILES

CC(CC1)CCC1NS(c1cn(CC(OC)=O)c(cc2)c1cc2[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C18H23N3O6S/c1-12-3-5-13(6-4-12)19-28(25,26)17-10-20(11-18(22)27-2)16-8-7-14(21(23)24)9-15(16)17/h7-10,12-13,19H,3-6,11H2,1-2H3

InChI Key

LHGNWMWODFYBQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.76

Polar Surface Area

97.900

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E734-2117 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E734-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2117?
Check Price and Availability of E734-2117, 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 E734-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2117
  • 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 E734-2117 available by request