8015-6911 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

8015-6911 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
8015-6911 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6911
N~1~-(5-methyl-3-isoxazolyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

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

8015-6911

Molecular Formula

C11H13N5O4 (C11 H13 N5 O4)

Compound Name

N~1~-(5-methyl-3-isoxazolyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc1cc(NC(CCCn2ncc([N+]([O-])=O)c2)=O)no1

InChI

InChI=1S/C11H13N5O4/c1-8-5-10(14-20-8)13-11(17)3-2-4-15-7-9(6-12-15)16(18)19/h5-7H,2-4H2,1H3,(H,13,14,17)

InChI Key

LHQIYXAGWHTMBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.463

Distribution Coefficient, logD

0.367

Water Solubility, LogSw

-1.99

Polar Surface Area

93.049

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8015-6911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6911?
Check Price and Availability of 8015-6911, 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 8015-6911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6911
  • 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 8015-6911 available by request