3513-1128 Screening compound: 1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine

3513-1128 Screening compound: 1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine
3513-1128 Screening compound: 1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3513-1128
1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine

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

3513-1128

Molecular Formula

C17H18ClN3O4S (C17 H18 ClN3 O4 S)

Compound Name

1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine

IUPAC name

1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine

SMILES

CC(CN(CC1)c(ccc([N+]([O-])=O)c2)c2Cl)N1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C17H18ClN3O4S/c1-13-12-19(17-8-7-14(21(22)23)11-16(17)18)9-10-20(13)26(24,25)15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1

InChI Key

JYFHWOHMCMFXAO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02219123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.89

Polar Surface Area

68.286

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

3513-1128 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3513-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3513-1128?
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What is the minimum amount of 3513-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3513-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3513-1128
  • 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 3513-1128 available by request