K781-2463 Screening compound: ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate

K781-2463 Screening compound: ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate
K781-2463 Screening compound: ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2463
ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)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

K781-2463

Molecular Formula

C20H22N4O5S (C20 H22 N4 O5 S)

Compound Name

ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate

IUPAC name

ethyl 2-({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate

SMILES

CCOC(CSc(ccc(C(N(CC1)CCN1c1ncccc1)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H22N4O5S/c1-2-29-19(25)14-30-17-7-6-15(13-16(17)24(27)28)20(26)23-11-9-22(10-12-23)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3

InChI Key

BDVJXOWVJJRJAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.46

Polar Surface Area

81.898

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-2463 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-2463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2463?
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What is the minimum amount of K781-2463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2463
  • 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 K781-2463 available by request