V011-5237 Screening compound: 3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea

V011-5237 Screening compound: 3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea
V011-5237 Screening compound: 3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5237
3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]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

V011-5237

Molecular Formula

C20H29N3OS2 (C20 H29 N3 OS2)

Compound Name

3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea

IUPAC name

3-ethyl-1-(propan-2-yl)-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-13-thiazol-4-yl)methyl]thiourea

SMILES

CCNC(N(Cc1csc(COc2c(C(C)C)cccc2)n1)C(C)C)=S

InChI

InChI=1S/C20H29N3OS2/c1-6-21-20(25)23(15(4)5)11-16-13-26-19(22-16)12-24-18-10-8-7-9-17(18)14(2)3/h7-10,13-15H,6,11-12H2,1-5H3,(H,21,25)

InChI Key

RUWXZQVZEFPFQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.49

Polar Surface Area

29.973

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V011-5237 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V011-5237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5237?
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What is the minimum amount of V011-5237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5237
  • 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 V011-5237 available by request