6653-3704 Screening compound: (E)-{amino[4-(2,2,2-trifluoroacetamido)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2,2-trifluoroacetate

6653-3704 Screening compound: (E)-{amino[4-(2,2,2-trifluoroacetamido)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2,2-trifluoroacetate
6653-3704 Screening compound: (E)-{amino[4-(2,2,2-trifluoroacetamido)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2,2-trifluoroacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6653-3704
(E)-{amino[4-(2,2,2-trifluoroacetamido)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2,2-trifluoroacetate

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

6653-3704

Molecular Formula

C7H3F6N5O4 (C7 H3 F6 N5 O4)

Compound Name

(E)-{amino[4-(2,2,2-trifluoroacetamido)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2,2-trifluoroacetate

IUPAC name

(E)-{amino[4-(222-trifluoroacetamido)-125-oxadiazol-3-yl]methylidene}amino 222-trifluoroacetate

SMILES

N/C(/c1nonc1NC(C(F)(F)F)=O)=N/OC(C(F)(F)F)=O

InChI

InChI=1S/C7H3F6N5O4/c8-6(9,10)4(19)15-3-1(16-22-18-3)2(14)17-21-5(20)7(11,12)13/h(H2,14,17)(H,15,18,19)

InChI Key

XDVNUMLEDTWKTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08277530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.763

Distribution Coefficient, logD

-3.002

Water Solubility, LogSw

-1.26

Polar Surface Area

112.772

Acid Dissociation Constant (pKa)

3.63

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 6653-3704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6653-3704?
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What is the minimum amount of 6653-3704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6653-3704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6653-3704
  • 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 6653-3704 available by request