K901-0926 Screening compound: 3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

K901-0926 Screening compound: 3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
K901-0926 Screening compound: 3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K901-0926
3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-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

K901-0926

Molecular Formula

C20H24N6O5 (C20 H24 N6 O5)

Compound Name

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

IUPAC name

3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-213-benzoxadiazol-5-yl}amino)propan-1-ol

SMILES

COc(cccc1)c1N(CC1)CCN1c(c1nonc11)cc(NCCCO)c1[N+]([O-])=O

InChI

InChI=1S/C20H24N6O5/c1-30-17-6-3-2-5-15(17)24-8-10-25(11-9-24)16-13-14(21-7-4-12-27)20(26(28)29)19-18(16)22-31-23-19/h2-3,5-6,13,21,27H,4,7-12H2,1H3

InChI Key

UWSQCUDXUIOGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.71

Polar Surface Area

109.925

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K901-0926 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 K901-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K901-0926?
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What is the minimum amount of K901-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K901-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K901-0926
  • 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 K901-0926 available by request