V002-6977 Screening compound: N~1~-butyl-3-[5-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

V002-6977 Screening compound: N~1~-butyl-3-[5-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide
V002-6977 Screening compound: N~1~-butyl-3-[5-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6977
N~1~-butyl-3-[5-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

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

V002-6977

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

N~1~-butyl-3-[5-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

IUPAC name

N-butyl-3-[3-(5-methyl-134-oxadiazol-2-yl)-5-(2-methylpropyl)-1H-pyrazol-1-yl]benzamide

SMILES

CCCCNC(c1cc(-n(c(CC(C)C)c2)nc2-c2nnc(C)o2)ccc1)=O

InChI

InChI=1S/C21H27N5O2/c1-5-6-10-22-20(27)16-8-7-9-17(12-16)26-18(11-14(2)3)13-19(25-26)21-24-23-15(4)28-21/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,22,27)

InChI Key

FAIJYVJJMZEEEY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-3.88

Polar Surface Area

68.084

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with V002-6977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6977?
Check Price and Availability of V002-6977, 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 V002-6977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6977
  • 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 V002-6977 available by request