V012-3691 Screening compound: 3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea

V012-3691 Screening compound: 3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea
V012-3691 Screening compound: 3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3691
3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)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

V012-3691

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea

IUPAC name

3-(2-methoxyethyl)-1-(4-methylphenyl)-3-({2-[(naphthalen-1-yloxy)methyl]-13-thiazol-4-yl}methyl)urea

SMILES

Cc(cc1)ccc1NC(N(CCOC)Cc1csc(COc2cccc3ccccc23)n1)=O

InChI

InChI=1S/C26H27N3O3S/c1-19-10-12-21(13-11-19)28-26(30)29(14-15-31-2)16-22-18-33-25(27-22)17-32-24-9-5-7-20-6-3-4-8-23(20)24/h3-13,18H,14-17H2,1-2H3,(H,28,30)

InChI Key

QAMSYZHTBUSICY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

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

5.935

Distribution Coefficient, logD

5.935

Water Solubility, LogSw

-6.62

Polar Surface Area

51.630

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V012-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3691?
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What is the minimum amount of V012-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3691
  • 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 V012-3691 available by request