V004-8116 Screening compound: 3-tert-butyl-1-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)urea

V004-8116 Screening compound: 3-tert-butyl-1-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)urea
V004-8116 Screening compound: 3-tert-butyl-1-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8116
3-tert-butyl-1-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)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

V004-8116

Molecular Formula

C21H29N3O2S (C21 H29 N3 O2 S)

Compound Name

3-tert-butyl-1-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)urea

IUPAC name

3-tert-butyl-1-({2-[(34-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-1-(prop-2-en-1-yl)urea

SMILES

CC(C)(C)NC(N(CC=C)Cc1csc(COc2cc(C)c(C)cc2)n1)=O

InChI

InChI=1S/C21H29N3O2S/c1-7-10-24(20(25)23-21(4,5)6)12-17-14-27-19(22-17)13-26-18-9-8-15(2)16(3)11-18/h7-9,11,14H,1,10,12-13H2,2-6H3,(H,23,25)

InChI Key

OVIIAKNHZANUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.55

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

5.337

Distribution Coefficient, logD

5.337

Water Solubility, LogSw

-5.33

Polar Surface Area

43.890

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V004-8116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8116?
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What is the minimum amount of V004-8116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8116
  • 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 V004-8116 available by request