K781-8614 Screening compound: ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate

K781-8614 Screening compound: ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate
K781-8614 Screening compound: ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8614
ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate

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

K781-8614

Molecular Formula

C18H25N3O7S (C18 H25 N3 O7 S)

Compound Name

ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate

IUPAC name

ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)benzenesulfonyl]acetate

SMILES

CCCN(CC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1S(CC(OCC)=O)(=O)=O)=O

InChI

InChI=1S/C18H25N3O7S/c1-3-7-19-8-10-20(11-9-19)18(23)14-5-6-16(15(12-14)21(24)25)29(26,27)13-17(22)28-4-2/h5-6,12H,3-4,7-11,13H2,1-2H3

InChI Key

CTKWXNMBMRLYMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.194

Water Solubility, LogSw

-2.38

Polar Surface Area

102.953

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

K781-8614 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-8614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8614?
Check Price and Availability of K781-8614, 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 K781-8614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8614
  • 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 K781-8614 available by request