V017-3945 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea

V017-3945 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea
V017-3945 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3945
3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea

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

V017-3945

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea

IUPAC name

3-tert-butyl-1-(cyclopropylmethyl)-1-{[2-phenylmethanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methyl}urea

SMILES

CC(C)(C)NC(N(CC1CC1)Cc(n1CC=C)cnc1S(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H32N4O3S/c1-5-13-27-20(16-26(15-18-11-12-18)21(28)25-23(2,3)4)14-24-22(27)31(29,30)17-19-9-7-6-8-10-19/h5-10,14,18H,1,11-13,15-17H2,2-4H3,(H,25,28)

InChI Key

VWVKAGPDARAEGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978372

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-3.74

Polar Surface Area

66.602

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V017-3945 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 V017-3945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3945?
Check Price and Availability of V017-3945, 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 V017-3945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3945
  • 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 V017-3945 available by request