K781-8624 Screening compound: ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]acetate

K781-8624 Screening compound: ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]acetate
K781-8624 Screening compound: ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8624
ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]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

K781-8624

Molecular Formula

C17H23N3O7S (C17 H23 N3 O7 S)

Compound Name

ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]acetate

IUPAC name

ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzenesulfonyl]acetate

SMILES

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

InChI

InChI=1S/C17H23N3O7S/c1-3-18-7-9-19(10-8-18)17(22)13-5-6-15(14(11-13)20(23)24)28(25,26)12-16(21)27-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3

InChI Key

CMMWHZPMTPNPLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.910

Distribution Coefficient, logD

0.733

Water Solubility, LogSw

-2.26

Polar Surface Area

102.699

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

K781-8624 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-8624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8624?
Check Price and Availability of K781-8624, 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 K781-8624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8624
  • 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 K781-8624 available by request