V027-8191 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

V027-8191 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea
V027-8191 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8191
1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

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

V027-8191

Molecular Formula

C28H37N5O5S2 (C28 H37 N5 O5 S2)

Compound Name

1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

IUPAC name

1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

SMILES

COCCn1c(S(Cc2ccccc2)(=O)=O)ncc1CN(CCN1CCOCC1)C(Nc(cc1)ccc1OC)=S

InChI

InChI=1S/C28H37N5O5S2/c1-36-17-16-33-25(20-29-28(33)40(34,35)22-23-6-4-3-5-7-23)21-32(13-12-31-14-18-38-19-15-31)27(39)30-24-8-10-26(37-2)11-9-24/h3-11,20H,12-19,21-22H2,1-2H3,(H,30,39)

InChI Key

BXOCXKOKKMRSSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978371

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.76

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-3.10

Polar Surface Area

78.847

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V027-8191 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-8191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8191?
Check Price and Availability of V027-8191, 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 V027-8191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8191
  • 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 V027-8191 available by request