C582-0942 Screening compound: ethyl 4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

C582-0942 Screening compound: ethyl 4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
C582-0942 Screening compound: ethyl 4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0942
ethyl 4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

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

C582-0942

Molecular Formula

C14H20N4O6 (C14 H20 N4 O6)

Compound Name

ethyl 4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[4-nitro-5-(propan-2-yl)-12-oxazole-3-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1noc(C(C)C)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C14H20N4O6/c1-4-23-14(20)17-7-5-16(6-8-17)13(19)10-11(18(21)22)12(9(2)3)24-15-10/h9H,4-8H2,1-3H3

InChI Key

FXAMUBQQPOPVTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-1.71

Polar Surface Area

95.257

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

C582-0942 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C582-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0942?
Check Price and Availability of C582-0942, 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 C582-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0942
  • 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 C582-0942 available by request