4872-0527 Screening compound: 1,4-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]piperazine

4872-0527 Screening compound: 1,4-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]piperazine
4872-0527 Screening compound: 1,4-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0527
1,4-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]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

4872-0527

Molecular Formula

C16H14Cl2N4O6S4 (C16 H14 Cl2 N4 O6 S4)

Compound Name

1,4-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]piperazine

IUPAC name

14-bis[2-chloro-5-(ethenesulfinyl)-4-nitrothiophen-3-yl]piperazine

SMILES

C=CS(c(sc(Cl)c1N(CC2)CCN2c(c([N+]([O-])=O)c(s2)S(C=C)=O)c2Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H18Cl2N4O6S4/c1-3-31(27)15-11(21(23)24)9(13(17)29-15)19-5-7-20(8-6-19)10-12(22(25)26)16(30-14(10)18)32(28)4-2/h3-4H,1-2,5-8,31-32H2

InChI Key

SLMMBHAELFCCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.98

Polar Surface Area

104.168

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4872-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0527?
Check Price and Availability of 4872-0527, 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 4872-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0527
  • 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 4872-0527 available by request