V017-9775 Screening compound: 1-[(1-cyclopropyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

V017-9775 Screening compound: 1-[(1-cyclopropyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea
V017-9775 Screening compound: 1-[(1-cyclopropyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9775
1-[(1-cyclopropyl-2-phenylmethanesulfonyl-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

V017-9775

Molecular Formula

C21H30N4O2S2 (C21 H30 N4 O2 S2)

Compound Name

1-[(1-cyclopropyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

IUPAC name

1-[(1-cyclopropyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-3-ethyl-1-(2-methylpropyl)thiourea

SMILES

CCNC(N(CC(C)C)Cc(n1C2CC2)cnc1S(Cc1ccccc1)(=O)=O)=S

InChI

InChI=1S/C21H30N4O2S2/c1-4-22-20(28)24(13-16(2)3)14-19-12-23-21(25(19)18-10-11-18)29(26,27)15-17-8-6-5-7-9-17/h5-9,12,16,18H,4,10-11,13-15H2,1-3H3,(H,22,28)

InChI Key

CYNDIKQRCKKPGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.63

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

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.52

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

52.40

V017-9775 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 V017-9775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9775?
Check Price and Availability of V017-9775, 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 V017-9775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9775
  • 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 V017-9775 available by request