V028-2865 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]thiourea

V028-2865 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]thiourea
V028-2865 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2865
3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]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

V028-2865

Molecular Formula

C26H30ClFN4O3S2 (C26 H30 ClFN4 O3 S2)

Compound Name

3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]thiourea

IUPAC name

3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-[(oxolan-2-yl)methyl]thiourea

SMILES

CC(C)n1c(S(Cc2cccc(Cl)c2)(=O)=O)ncc1CN(CC1OCCC1)C(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C26H30ClFN4O3S2/c1-18(2)32-23(14-29-26(32)37(33,34)17-19-5-3-6-20(27)13-19)15-31(16-24-7-4-12-35-24)25(36)30-22-10-8-21(28)9-11-22/h3,5-6,8-11,13-14,18,24H,4,7,12,15-17H2,1-2H3,(H,30,36)/t24-/m1/s1

InChI Key

BJALAVPTQZTZRV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19818229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.84

Polar Surface Area

60.842

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V028-2865 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-2865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2865?
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What is the minimum amount of V028-2865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2865
  • 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 V028-2865 available by request