K781-8273 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

K781-8273 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
K781-8273 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8273
2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

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

K781-8273

Molecular Formula

C19H22N6O5 (C19 H22 N6 O5)

Compound Name

2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

IUPAC name

2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethan-1-ol

SMILES

COc(cc1)ccc1N(CC1)CCN1c(c1nonc11)cc(NCCO)c1[N+]([O-])=O

InChI

InChI=1S/C19H22N6O5/c1-29-14-4-2-13(3-5-14)23-7-9-24(10-8-23)16-12-15(20-6-11-26)19(25(27)28)18-17(16)21-30-22-18/h2-5,12,20,26H,6-11H2,1H3

InChI Key

SUKYYTIYOYEHRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.91

Polar Surface Area

110.139

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

K781-8273 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K781-8273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8273?
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What is the minimum amount of K781-8273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8273
  • 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 K781-8273 available by request