K781-8264 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino)ethan-1-ol

K781-8264 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino)ethan-1-ol
K781-8264 Screening compound: 2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8264
2-({7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)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

K781-8264

Molecular Formula

C20H24N6O5 (C20 H24 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(CCO)c(cc(c1nonc11)N(CC2)CCN2c(cc2)ccc2OC)c1[N+]([O-])=O

InChI

InChI=1S/C20H24N6O5/c1-23(11-12-27)17-13-16(18-19(22-31-21-18)20(17)26(28)29)25-9-7-24(8-10-25)14-3-5-15(30-2)6-4-14/h3-6,13,27H,7-12H2,1-2H3

InChI Key

MXGPNJIUFZXGAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.67

Polar Surface Area

103.393

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K781-8264 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-8264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8264?
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What is the minimum amount of K781-8264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8264
  • 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 K781-8264 available by request