K672-0374 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-methylpiperazine

K672-0374 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-methylpiperazine
K672-0374 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K672-0374
1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-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

K672-0374

Molecular Formula

C18H18ClN3O3S (C18 H18 ClN3 O3 S)

Compound Name

1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-methylpiperazine

IUPAC name

1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-4-methylpiperazine

SMILES

CN(CC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1Sc1cccc(Cl)c1)=O

InChI

InChI=1S/C18H18ClN3O3S/c1-20-7-9-21(10-8-20)18(23)13-5-6-17(16(11-13)22(24)25)26-15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3

InChI Key

YESUOKUENFAUCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-4.02

Polar Surface Area

53.172

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K672-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K672-0374?
Check Price and Availability of K672-0374, 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 K672-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K672-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K672-0374
  • 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 K672-0374 available by request