V004-6047 Screening compound: 3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V004-6047 Screening compound: 3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V004-6047 Screening compound: 3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6047
3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

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

V004-6047

Molecular Formula

C25H25F3N4O3S (C25 H25 F3 N4 O3 S)

Compound Name

3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-(N-cyclopropyl-1-{2-[(2-methoxyphenyl)amino]-13-thiazol-4-yl}formamido)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

COc(cccc1)c1Nc1nc(C(N(CCC(NCc2cc(C(F)(F)F)ccc2)=O)C2CC2)=O)cs1

InChI

InChI=1S/C25H25F3N4O3S/c1-35-21-8-3-2-7-19(21)30-24-31-20(15-36-24)23(34)32(18-9-10-18)12-11-22(33)29-14-16-5-4-6-17(13-16)25(26,27)28/h2-8,13,15,18H,9-12,14H2,1H3,(H,29,33)(H,30,31)

InChI Key

GLHMORJNFPCVBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

5.301

Water Solubility, LogSw

-5.41

Polar Surface Area

66.095

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V004-6047 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-6047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6047?
Check Price and Availability of V004-6047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-6047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6047
  • 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 V004-6047 available by request