V005-7994 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide

V005-7994 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide
V005-7994 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7994
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide

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

V005-7994

Molecular Formula

C27H29N3O7 (C27 H29 N3 O7)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{1-[5-(3-methoxyphenyl)-12-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}propanamide

SMILES

COc1cccc(-c2cc(C(N(CCC(NCc(cc3)cc4c3OCO4)=O)CC3OCCC3)=O)no2)c1

InChI

InChI=1S/C27H29N3O7/c1-33-20-5-2-4-19(13-20)24-14-22(29-37-24)27(32)30(16-21-6-3-11-34-21)10-9-26(31)28-15-18-7-8-23-25(12-18)36-17-35-23/h2,4-5,7-8,12-14,21H,3,6,9-11,15-17H2,1H3,(H,28,31)/t21-/m1/s1

InChI Key

DMCUUQJJGVNCGO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19811031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.31

Polar Surface Area

95.477

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V005-7994 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V005-7994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7994?
Check Price and Availability of V005-7994, 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 V005-7994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7994
  • 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 V005-7994 available by request