V018-5210 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)urea

V018-5210 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)urea
V018-5210 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5210
3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)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

V018-5210

Molecular Formula

C22H31FN4O4S (C22 H31 FN4 O4 S)

Compound Name

3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)urea

IUPAC name

3-tert-butyl-1-cyclopropyl-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)urea

SMILES

CC(C)(C)NC(N(Cc(n1CCOC)cnc1S(Cc(cc1)ccc1F)(=O)=O)C1CC1)=O

InChI

InChI=1S/C22H31FN4O4S/c1-22(2,3)25-20(28)27(18-9-10-18)14-19-13-24-21(26(19)11-12-31-4)32(29,30)15-16-5-7-17(23)8-6-16/h5-8,13,18H,9-12,14-15H2,1-4H3,(H,25,28)

InChI Key

YTUYOWFMNDEGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817150

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.17

Polar Surface Area

73.997

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V018-5210 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 V018-5210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5210?
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What is the minimum amount of V018-5210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5210
  • 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 V018-5210 available by request