V017-9721 Screening compound: 1-({1-cyclopropyl-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea

V017-9721 Screening compound: 1-({1-cyclopropyl-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea
V017-9721 Screening compound: 1-({1-cyclopropyl-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-ethyl-1-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9721
1-({1-cyclopropyl-2-[(3-methoxyphenyl)methanesulfonyl]-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

V017-9721

Molecular Formula

C21H28N4O3S2 (C21 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H28N4O3S2/c1-4-11-24(20(29)22-5-2)14-18-13-23-21(25(18)17-9-10-17)30(26,27)15-16-7-6-8-19(12-16)28-3/h4,6-8,12-13,17H,1,5,9-11,14-15H2,2-3H3,(H,22,29)

InChI Key

TXUKPPBREUICHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818111

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.35

Polar Surface Area

60.762

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V017-9721 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 V017-9721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9721?
Check Price and Availability of V017-9721, 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 V017-9721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9721
  • 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 V017-9721 available by request