V006-4855 Screening compound: 1-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

V006-4855 Screening compound: 1-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea
V006-4855 Screening compound: 1-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4855
1-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

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

V006-4855

Molecular Formula

C31H37N5O6S (C31 H37 N5 O6 S)

Compound Name

1-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

1-{2-[5-(25-dimethoxyphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

COc(cc1)cc(C(C2)N(C(CN(CCN3CCOCC3)C(Nc(cccc3)c3OC)=O)=O)N=C2c2cccs2)c1OC

InChI

InChI=1S/C31H37N5O6S/c1-39-22-10-11-27(40-2)23(19-22)26-20-25(29-9-6-18-43-29)33-36(26)30(37)21-35(13-12-34-14-16-42-17-15-34)31(38)32-24-7-4-5-8-28(24)41-3/h4-11,18-19,26H,12-17,20-21H2,1-3H3,(H,32,38)/t26-/m1/s1

InChI Key

KONLMGRYQWFRBW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19797594

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

607.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.22

Polar Surface Area

86.614

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

V006-4855 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 V006-4855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4855?
Check Price and Availability of V006-4855, 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 V006-4855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4855
  • 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 V006-4855 available by request