V004-8152 Screening compound: 3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(2-methylpropyl)urea

V004-8152 Screening compound: 3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(2-methylpropyl)urea
V004-8152 Screening compound: 3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(2-methylpropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8152
3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(2-methylpropyl)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

V004-8152

Molecular Formula

C21H31N3O2S (C21 H31 N3 O2 S)

Compound Name

3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(2-methylpropyl)urea

IUPAC name

3-tert-butyl-1-({2-[(2-methylphenoxy)methyl]-13-thiazol-4-yl}methyl)-1-(2-methylpropyl)urea

SMILES

CC(C)CN(Cc1csc(COc2c(C)cccc2)n1)C(NC(C)(C)C)=O

InChI

InChI=1S/C21H31N3O2S/c1-15(2)11-24(20(25)23-21(4,5)6)12-17-14-27-19(22-17)13-26-18-10-8-7-9-16(18)3/h7-10,14-15H,11-13H2,1-6H3,(H,23,25)

InChI Key

FGWPVCDSCKESRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.464

Distribution Coefficient, logD

5.464

Water Solubility, LogSw

-5.45

Polar Surface Area

43.998

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with V004-8152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8152?
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What is the minimum amount of V004-8152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8152
  • 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 V004-8152 available by request