V010-9854 Screening compound: 2-({[(2,4-DIMETHYLPHENYL)METHYL](3-METHYLBUTAN-2-YL)AMINO}METHYL)-N-(2-METHYLPROPYL)-1,3-OXAZOLE-4-CARBOXAMIDE

V010-9854 Screening compound: 2-({[(2,4-DIMETHYLPHENYL)METHYL](3-METHYLBUTAN-2-YL)AMINO}METHYL)-N-(2-METHYLPROPYL)-1,3-OXAZOLE-4-CARBOXAMIDE
V010-9854 Screening compound: 2-({[(2,4-DIMETHYLPHENYL)METHYL](3-METHYLBUTAN-2-YL)AMINO}METHYL)-N-(2-METHYLPROPYL)-1,3-OXAZOLE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9854
2-({[(2,4-DIMETHYLPHENYL)METHYL](3-METHYLBUTAN-2-YL)AMINO}METHYL)-N-(2-METHYLPROPYL)-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

V010-9854

Molecular Formula

C23H35N3O2 (C23 H35 N3 O2)

Compound Name

2-({[(2,4-DIMETHYLPHENYL)METHYL](3-METHYLBUTAN-2-YL)AMINO}METHYL)-N-(2-METHYLPROPYL)-1,3-OXAZOLE-4-CARBOXAMIDE

IUPAC name

2-({[(24-dimethylphenyl)methyl](3-methylbutan-2-yl)amino}methyl)-N-(2-methylpropyl)-13-oxazole-4-carboxamide

SMILES

CC(C)CNC(c1coc(CN(Cc2c(C)cc(C)cc2)C(C)C(C)C)n1)=O

InChI

InChI=1S/C23H35N3O2/c1-15(2)11-24-23(27)21-14-28-22(25-21)13-26(19(7)16(3)4)12-20-9-8-17(5)10-18(20)6/h8-10,14-16,19H,11-13H2,1-7H3,(H,24,27)/t19-/m0/s1

InChI Key

NSNDGQNOGGFKDR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19830224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-4.90

Polar Surface Area

46.297

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

V010-9854 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V010-9854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9854?
Check Price and Availability of V010-9854, 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 V010-9854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9854
  • 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 V010-9854 available by request