V012-1330 Screening compound: N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

V012-1330 Screening compound: N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
V012-1330 Screening compound: N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1330
N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

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

V012-1330

Molecular Formula

C21H29FN4O3 (C21 H29 FN4 O3)

Compound Name

N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

N-(2-fluoro-5-methylphenyl)-2-{[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]methyl}-13-oxazole-4-carboxamide

SMILES

CC(C)C(CN1CCN(Cc2nc(C(Nc(cc(C)cc3)c3F)=O)co2)CC1)O

InChI

InChI=1S/C21H29FN4O3/c1-14(2)19(27)11-25-6-8-26(9-7-25)12-20-23-18(13-29-20)21(28)24-17-10-15(3)4-5-16(17)22/h4-5,10,13-14,19,27H,6-9,11-12H2,1-3H3,(H,24,28)/t19-/m0/s1

InChI Key

IIPUAKGPTBIOBL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19909325

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-2.85

Polar Surface Area

64.734

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

V012-1330 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V012-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1330?
Check Price and Availability of V012-1330, 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 V012-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1330
  • 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 V012-1330 available by request