K893-1095 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-(4-nitrophenyl)piperazine

K893-1095 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-(4-nitrophenyl)piperazine
K893-1095 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K893-1095
1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-(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

K893-1095

Molecular Formula

C14H13Br2N3O4S2 (C14 H13 Br2 N3 O4 S2)

Compound Name

1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-(4-nitrophenyl)piperazine

IUPAC name

1-[(45-dibromothiophen-2-yl)sulfonyl]-4-(4-nitrophenyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1S(c(s1)cc(Br)c1Br)(=O)=O)=O

InChI

InChI=1S/C14H13Br2N3O4S2/c15-12-9-13(24-14(12)16)25(22,23)18-7-5-17(6-8-18)10-1-3-11(4-2-10)19(20)21/h1-4,9H,5-8H2

InChI Key

JSBNOYRKPFQJCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.22

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

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.29

Polar Surface Area

69.610

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K893-1095 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K893-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K893-1095?
Check Price and Availability of K893-1095, 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 K893-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K893-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K893-1095
  • 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 K893-1095 available by request