4240-0097 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol

4240-0097 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol
4240-0097 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0097
2,6-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol

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

4240-0097

Molecular Formula

C19H23N3O7S (C19 H23 N3 O7 S)

Compound Name

2,6-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol

IUPAC name

26-dimethoxy-4-{[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]methyl}phenol

SMILES

COc1cc(CN(CC2)CCN2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)cc(OC)c1O

InChI

InChI=1S/C19H23N3O7S/c1-28-17-11-14(12-18(29-2)19(17)23)13-20-7-9-21(10-8-20)30(26,27)16-5-3-15(4-6-16)22(24)25/h3-6,11-12,23H,7-10,13H2,1-2H3

InChI Key

QRRANPUQPFQOEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816298

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

0.685

Water Solubility, LogSw

-2.36

Polar Surface Area

99.611

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4240-0097 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 4240-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0097?
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What is the minimum amount of 4240-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0097
  • 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 4240-0097 available by request