V026-5161 Screening compound: 3-(4-fluorophenyl)-1-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-1-[2-(morpholin-4-yl)ethyl]thiourea

V026-5161 Screening compound: 3-(4-fluorophenyl)-1-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-1-[2-(morpholin-4-yl)ethyl]thiourea
V026-5161 Screening compound: 3-(4-fluorophenyl)-1-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-1-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5161
3-(4-fluorophenyl)-1-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-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

V026-5161

Molecular Formula

C28H36FN5O5S2 (C28 H36 FN5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COCCn1c(S(Cc2cc(OC)ccc2)(=O)=O)ncc1CN(CCN1CCOCC1)C(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C28H36FN5O5S2/c1-37-15-14-34-25(19-30-28(34)41(35,36)21-22-4-3-5-26(18-22)38-2)20-33(11-10-32-12-16-39-17-13-32)27(40)31-24-8-6-23(29)7-9-24/h3-9,18-19H,10-17,20-21H2,1-2H3,(H,31,40)

InChI Key

LDVQOBNBKFOOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819105

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

605.75

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

3.113

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.33

Polar Surface Area

78.847

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V026-5161 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 V026-5161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5161?
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What is the minimum amount of V026-5161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5161
  • 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 V026-5161 available by request