V018-6346 Screening compound: 1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

V018-6346 Screening compound: 1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea
V018-6346 Screening compound: 1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6346
1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)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

V018-6346

Molecular Formula

C22H29F3N4O2S2 (C22 H29 F3 N4 O2 S2)

Compound Name

1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

IUPAC name

1-[(1-cyclopropyl-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

SMILES

CCNC(N(CC(C)C)Cc(n1C2CC2)cnc1S(Cc1cc(C(F)(F)F)ccc1)(=O)=O)=S

InChI

InChI=1S/C22H29F3N4O2S2/c1-4-26-20(32)28(12-15(2)3)13-19-11-27-21(29(19)18-8-9-18)33(30,31)14-16-6-5-7-17(10-16)22(23,24)25/h5-7,10-11,15,18H,4,8-9,12-14H2,1-3H3,(H,26,32)

InChI Key

QGYNHPOJIJNHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19822221

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.21

Polar Surface Area

53.239

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V018-6346 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 V018-6346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6346?
Check Price and Availability of V018-6346, 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 V018-6346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6346
  • 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 V018-6346 available by request