K781-8267 Screening compound: 2-({7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

K781-8267 Screening compound: 2-({7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
K781-8267 Screening compound: 2-({7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8267
2-({7-[4-(2,5-dimethylphenyl)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

K781-8267

Molecular Formula

C20H24N6O4 (C20 H24 N6 O4)

Compound Name

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

IUPAC name

2-({7-[4-(25-dimethylphenyl)piperazin-1-yl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethan-1-ol

SMILES

Cc1cc(N(CC2)CCN2c(c2nonc22)cc(NCCO)c2[N+]([O-])=O)c(C)cc1

InChI

InChI=1S/C20H24N6O4/c1-13-3-4-14(2)16(11-13)24-6-8-25(9-7-24)17-12-15(21-5-10-27)20(26(28)29)19-18(17)22-30-23-19/h3-4,11-12,21,27H,5-10H2,1-2H3

InChI Key

UUCWOQZVRZQLRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.38

Polar Surface Area

102.295

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K781-8267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8267?
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What is the minimum amount of K781-8267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8267
  • 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 K781-8267 available by request