V010-8679 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylthiourea

V010-8679 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylthiourea
V010-8679 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8679
1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1,3-diethylthiourea

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

V010-8679

Molecular Formula

C23H27FN4O2S2 (C23 H27 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(CC)Cc(n1Cc2ccccc2)cnc1S(Cc(cccc1)c1F)(=O)=O)=S

InChI

InChI=1S/C23H27FN4O2S2/c1-3-25-22(31)27(4-2)16-20-14-26-23(28(20)15-18-10-6-5-7-11-18)32(29,30)17-19-12-8-9-13-21(19)24/h5-14H,3-4,15-17H2,1-2H3,(H,25,31)

InChI Key

WYWWJFCSCNVRFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19822324

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-3.95

Polar Surface Area

52.057

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V010-8679 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 V010-8679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8679?
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What is the minimum amount of V010-8679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8679
  • 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 V010-8679 available by request