4456-3507 Screening compound: methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

4456-3507 Screening compound: methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate
4456-3507 Screening compound: methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3507
methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-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

4456-3507

Molecular Formula

C21H15ClN2O7S (C21 H15 ClN2 O7 S)

Compound Name

methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

methyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methylnaphtho[12-b]furan-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(c2ccccc22)NS(c(cc3)cc([N+]([O-])=O)c3Cl)(=O)=O)c2o1

InChI

InChI=1S/C21H15ClN2O7S/c1-11-19(21(25)30-2)15-10-17(13-5-3-4-6-14(13)20(15)31-11)23-32(28,29)12-7-8-16(22)18(9-12)24(26)27/h3-10,23H,1-2H3

InChI Key

WXJFUSCOPXOLKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.88

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-5.19

Polar Surface Area

102.353

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

-11.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4456-3507 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4456-3507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3507?
Check Price and Availability of 4456-3507, 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 4456-3507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3507
  • 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 4456-3507 available by request