V028-4087 Screening compound: N-cyclopropyl-N-({2-[(4-fluorobenzyl)sulfonyl]-1-isopropyl-1H-imidazol-5-yl}methyl)-N'-isopropylthiourea

V028-4087 Screening compound: N-cyclopropyl-N-({2-[(4-fluorobenzyl)sulfonyl]-1-isopropyl-1H-imidazol-5-yl}methyl)-N'-isopropylthiourea
V028-4087 Screening compound: N-cyclopropyl-N-({2-[(4-fluorobenzyl)sulfonyl]-1-isopropyl-1H-imidazol-5-yl}methyl)-N'-isopropylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4087
N-cyclopropyl-N-({2-[(4-fluorobenzyl)sulfonyl]-1-isopropyl-1H-imidazol-5-yl}methyl)-N'-isopropylthiourea

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

V028-4087

Molecular Formula

C21H29FN4O2S2 (C21 H29 FN4 O2 S2)

Compound Name

N-cyclopropyl-N-({2-[(4-fluorobenzyl)sulfonyl]-1-isopropyl-1H-imidazol-5-yl}methyl)-N'-isopropylthiourea

IUPAC name

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

SMILES

CC(C)NC(N(Cc(n1C(C)C)cnc1S(Cc(cc1)ccc1F)(=O)=O)C1CC1)=S

InChI

InChI=1S/C21H29FN4O2S2/c1-14(2)24-20(29)25(18-9-10-18)12-19-11-23-21(26(19)15(3)4)30(27,28)13-16-5-7-17(22)8-6-16/h5-8,11,14-15,18H,9-10,12-13H2,1-4H3,(H,24,29)

InChI Key

RHLCQYUEENGJHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818213

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.71

Polar Surface Area

52.332

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

V028-4087 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-4087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4087?
Check Price and Availability of V028-4087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V028-4087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4087
  • 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 V028-4087 available by request