V027-9070 Screening compound: 1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

V027-9070 Screening compound: 1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]urea
V027-9070 Screening compound: 1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9070
1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-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

V027-9070

Molecular Formula

C32H43N5O4S (C32 H43 N5 O4 S)

Compound Name

1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

Cc(cc1)ccc1NC(N(CCN1CCOCC1)Cc(n1C2CCCCC2)cnc1S(Cc1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C32H43N5O4S/c1-25-11-13-28(14-12-25)34-31(38)36(16-15-35-17-19-41-20-18-35)23-30-22-33-32(37(30)29-9-4-3-5-10-29)42(39,40)24-27-8-6-7-26(2)21-27/h6-8,11-14,21-22,29H,3-5,9-10,15-20,23-24H2,1-2H3,(H,34,38)

InChI Key

SWDOGIKYJDWJIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824010

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.59

Polar Surface Area

77.858

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V027-9070 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 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 V027-9070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9070?
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What is the minimum amount of V027-9070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9070
  • 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 V027-9070 available by request