V013-9701 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

V013-9701 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
V013-9701 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9701
2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

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

V013-9701

Molecular Formula

C29H35N3O5 (C29 H35 N3 O5)

Compound Name

2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

IUPAC name

2-{[(4-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

SMILES

Cc1ccc(CN(CCc2ccccc2)C(CN(CC2OCCC2)C(Nc(cc2)ccc2OC)=O)=O)o1

InChI

InChI=1S/C29H35N3O5/c1-22-10-13-27(37-22)20-31(17-16-23-7-4-3-5-8-23)28(33)21-32(19-26-9-6-18-36-26)29(34)30-24-11-14-25(35-2)15-12-24/h3-5,7-8,10-15,26H,6,9,16-21H2,1-2H3,(H,30,34)/t26-/m1/s1

InChI Key

RLBTVOVTOFWIJG-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19765551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.06

Polar Surface Area

64.122

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V013-9701 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 V013-9701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9701?
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What is the minimum amount of V013-9701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9701
  • 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 V013-9701 available by request