K091-1070 Screening compound: 3-({[(4E)-2-(4-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid

K091-1070 Screening compound: 3-({[(4E)-2-(4-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid
K091-1070 Screening compound: 3-({[(4E)-2-(4-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1070
3-({[(4E)-2-(4-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid

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

K091-1070

Molecular Formula

C17H11N3O6 (C17 H11 N3 O6)

Compound Name

3-({[(4E)-2-(4-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid

IUPAC name

3-({[(4E)-2-(4-nitrophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}amino)benzoic acid

SMILES

[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C/Nc1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C17H11N3O6/c21-16(22)11-2-1-3-12(8-11)18-9-14-17(23)26-15(19-14)10-4-6-13(7-5-10)20(24)25/h1-9,18H,(H,21,22)

InChI Key

SIWZXGBNCDEDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

0.085

Water Solubility, LogSw

-3.50

Polar Surface Area

103.766

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K091-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1070?
Check Price and Availability of K091-1070, 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 K091-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1070
  • 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 K091-1070 available by request