4100-3637 Screening compound: methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate

4100-3637 Screening compound: methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate
4100-3637 Screening compound: methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3637
methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate

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

4100-3637

Molecular Formula

C17H17N3O7S (C17 H17 N3 O7 S)

Compound Name

methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate

IUPAC name

methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate

SMILES

COC(c1cc(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C17H17N3O7S/c1-27-17(22)13-8-12(9-14(10-13)20(23)24)16(21)19-7-6-11-2-4-15(5-3-11)28(18,25)26/h2-5,8-10H,6-7H2,1H3,(H,19,21)(H2,18,25,26)

InChI Key

YOJOHKAENFBBFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.097

Distribution Coefficient, logD

1.096

Water Solubility, LogSw

-2.38

Polar Surface Area

129.652

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4100-3637 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4100-3637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3637?
Check Price and Availability of 4100-3637, 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 4100-3637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3637
  • 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 4100-3637 available by request