V009-3281 Screening compound: 1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylurea

V009-3281 Screening compound: 1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylurea
V009-3281 Screening compound: 1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3281
1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylurea

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

V009-3281

Molecular Formula

C23H27FN4O3S (C23 H27 FN4 O3 S)

Compound Name

1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylurea

IUPAC name

1-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-13-diethylurea

SMILES

CCNC(N(CC)Cc(n1Cc2ccccc2)cnc1S(Cc(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C23H27FN4O3S/c1-3-25-22(29)27(4-2)16-21-14-26-23(28(21)15-18-8-6-5-7-9-18)32(30,31)17-19-10-12-20(24)13-11-19/h5-14H,3-4,15-17H2,1-2H3,(H,25,29)

InChI Key

KXPCSALGRQOLPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817168

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.23

Polar Surface Area

66.628

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V009-3281 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 V009-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3281?
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What is the minimum amount of V009-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3281
  • 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 V009-3281 available by request