K034-0129 Screening compound: 4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole

K034-0129 Screening compound: 4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole
K034-0129 Screening compound: 4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K034-0129
4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole

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

K034-0129

Molecular Formula

C17H13F3N6O5 (C17 H13 F3 N6 O5)

Compound Name

4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole

IUPAC name

4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-213-benzoxadiazole

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCN1c(ccc1nonc11)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H13F3N6O5/c18-17(19,20)10-1-3-12(14(9-10)25(27)28)23-5-7-24(8-6-23)13-4-2-11-15(22-31-21-11)16(13)26(29)30/h1-4,9H,5-8H2

InChI Key

YFTMHKVPXCZSKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.89

Polar Surface Area

108.299

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with K034-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K034-0129?
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What is the minimum amount of K034-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K034-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K034-0129
  • 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 K034-0129 available by request