4885-1562 Screening compound: 1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine

4885-1562 Screening compound: 1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine
4885-1562 Screening compound: 1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4885-1562
1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine

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

4885-1562

Molecular Formula

C21H21N3O5S2 (C21 H21 N3 O5 S2)

Compound Name

1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine

IUPAC name

1-(benzenesulfonyl)-4-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)piperazine

SMILES

[O-][N+](c(ccc(N(CC1)CCN1S(c1ccccc1)(=O)=O)c1)c1SCc1ccco1)=O

InChI

InChI=1S/C21H21N3O5S2/c25-24(26)20-9-8-17(15-21(20)30-16-18-5-4-14-29-18)22-10-12-23(13-11-22)31(27,28)19-6-2-1-3-7-19/h1-9,14-15H,10-13,16H2

InChI Key

BPLWLLSVYJCTGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.27

Polar Surface Area

75.768

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4885-1562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4885-1562?
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What is the minimum amount of 4885-1562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4885-1562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4885-1562
  • 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 4885-1562 available by request