V010-6881 Screening compound: N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

V010-6881 Screening compound: N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide
V010-6881 Screening compound: N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6881
N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-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

V010-6881

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

IUPAC name

N-(2-ethylbutyl)-4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

SMILES

CCC(CC)CNC(c(cc1)ccc1-n(c(-c(cc1)ccc1OC)c1C)nc1-c1nnc(C)o1)=O

InChI

InChI=1S/C27H31N5O3/c1-6-19(7-2)16-28-26(33)21-8-12-22(13-9-21)32-25(20-10-14-23(34-5)15-11-20)17(3)24(31-32)27-30-29-18(4)35-27/h8-15,19H,6-7,16H2,1-5H3,(H,28,33)

InChI Key

XENVLFYKXWAUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.60

Polar Surface Area

75.580

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V010-6881 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with V010-6881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6881?
Check Price and Availability of V010-6881, 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 V010-6881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6881
  • 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 V010-6881 available by request