V026-5175 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea

V026-5175 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea
V026-5175 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5175
1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)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

V026-5175

Molecular Formula

C20H27ClN4O2S2 (C20 H27 ClN4 O2 S2)

Compound Name

1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea

IUPAC name

1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea

SMILES

CCNC(N(CC=C)Cc(n1C(C)C)cnc1S(Cc1cccc(Cl)c1)(=O)=O)=S

InChI

InChI=1S/C20H27ClN4O2S2/c1-5-10-24(19(28)22-6-2)13-18-12-23-20(25(18)15(3)4)29(26,27)14-16-8-7-9-17(21)11-16/h5,7-9,11-12,15H,1,6,10,13-14H2,2-4H3,(H,22,28)

InChI Key

JOLQGAJMZDYEDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19820541

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.04

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

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.12

Polar Surface Area

53.657

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V026-5175 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 V026-5175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5175?
Check Price and Availability of V026-5175, 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 V026-5175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5175
  • 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 V026-5175 available by request