V028-8736 Screening compound: 1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-yl)urea

V028-8736 Screening compound: 1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-yl)urea
V028-8736 Screening compound: 1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8736
1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-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

V028-8736

Molecular Formula

C24H36N4O2S (C24 H36 N4 O2 S)

Compound Name

1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-yl)urea

IUPAC name

1-({2-[(23-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-1-[2-(piperidin-1-yl)ethyl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CCN1CCCCC1)Cc1csc(COc2c(C)c(C)ccc2)n1)=O

InChI

InChI=1S/C24H36N4O2S/c1-18(2)25-24(29)28(14-13-27-11-6-5-7-12-27)15-21-17-31-23(26-21)16-30-22-10-8-9-19(3)20(22)4/h8-10,17-18H,5-7,11-16H2,1-4H3,(H,25,29)

InChI Key

WNWGIGLLYVCTTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19865321

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-4.42

Polar Surface Area

47.838

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

V028-8736 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V028-8736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8736?
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What is the minimum amount of V028-8736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8736
  • 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 V028-8736 available by request