V010-2840 Screening compound: 1-(4-methylphenyl)-3-(2-methylpropyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea

V010-2840 Screening compound: 1-(4-methylphenyl)-3-(2-methylpropyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea
V010-2840 Screening compound: 1-(4-methylphenyl)-3-(2-methylpropyl)-3-({2-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-4-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2840
1-(4-methylphenyl)-3-(2-methylpropyl)-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

V010-2840

Molecular Formula

C27H29N3O2S (C27 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(Cc1csc(COc2cccc3ccccc23)n1)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C27H29N3O2S/c1-19(2)15-30(27(31)29-22-13-11-20(3)12-14-22)16-23-18-33-26(28-23)17-32-25-10-6-8-21-7-4-5-9-24(21)25/h4-14,18-19H,15-17H2,1-3H3,(H,29,31)

InChI Key

UEMOTKOVKNILRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

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

7.271

Distribution Coefficient, logD

7.271

Water Solubility, LogSw

-6.75

Polar Surface Area

43.309

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V010-2840 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-2840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2840?
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What is the minimum amount of V010-2840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2840
  • 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 V010-2840 available by request