E734-2076 Screening compound: methyl 2-{3-[(3-chloro-4-methylphenyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate

E734-2076 Screening compound: methyl 2-{3-[(3-chloro-4-methylphenyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate
E734-2076 Screening compound: methyl 2-{3-[(3-chloro-4-methylphenyl)sulfamoyl]-5-nitro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2076
methyl 2-{3-[(3-chloro-4-methylphenyl)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

E734-2076

Molecular Formula

C18H16ClN3O6S (C18 H16 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NS(c1cn(CC(OC)=O)c(cc2)c1cc2[N+]([O-])=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H16ClN3O6S/c1-11-3-4-12(7-15(11)19)20-29(26,27)17-9-21(10-18(23)28-2)16-6-5-13(22(24)25)8-14(16)17/h3-9,20H,10H2,1-2H3

InChI Key

YLYSGXFKGVVKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-4.16

Polar Surface Area

96.852

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E734-2076 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E734-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2076?
Check Price and Availability of E734-2076, 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 E734-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2076
  • 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 E734-2076 available by request