3616-3196 Screening compound: 1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-nitrophenyl)piperazine

3616-3196 Screening compound: 1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-nitrophenyl)piperazine
3616-3196 Screening compound: 1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-3196
1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-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

3616-3196

Molecular Formula

C22H19Cl2N3O4 (C22 H19 Cl2 N3 O4)

Compound Name

1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-nitrophenyl)piperazine

IUPAC name

1-[5-(3-chloro-2-methylphenyl)furan-2-carbonyl]-4-(4-chloro-2-nitrophenyl)piperazine

SMILES

Cc(c(-c1ccc(C(N(CC2)CCN2c(ccc(Cl)c2)c2[N+]([O-])=O)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C22H19Cl2N3O4/c1-14-16(3-2-4-17(14)24)20-7-8-21(31-20)22(28)26-11-9-25(10-12-26)18-6-5-15(23)13-19(18)27(29)30/h2-8,13H,9-12H2,1H3

InChI Key

JUMSABYNLVQDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.81

Polar Surface Area

61.326

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 3616-3196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-3196?
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What is the minimum amount of 3616-3196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-3196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-3196
  • 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 3616-3196 available by request