K901-0458 Screening compound: 2-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino)ethan-1-ol

K901-0458 Screening compound: 2-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino)ethan-1-ol
K901-0458 Screening compound: 2-({7-[4-(2-fluorophenyl)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 K901-0458
2-({7-[4-(2-fluorophenyl)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

K901-0458

Molecular Formula

C19H21FN6O4 (C19 H21 FN6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CCO)c(cc(c1nonc11)N(CC2)CCN2c(cccc2)c2F)c1[N+]([O-])=O

InChI

InChI=1S/C19H21FN6O4/c1-23(10-11-27)16-12-15(17-18(22-30-21-17)19(16)26(28)29)25-8-6-24(7-9-25)14-5-3-2-4-13(14)20/h2-5,12,27H,6-11H2,1H3

InChI Key

YMGRSORLVRRATF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.87

Polar Surface Area

95.549

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with K901-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K901-0458?
Check Price and Availability of K901-0458, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K901-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K901-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K901-0458
  • 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 K901-0458 available by request