V007-4176 Screening compound: 2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide

V007-4176 Screening compound: 2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
V007-4176 Screening compound: 2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4176
2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide

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

V007-4176

Molecular Formula

C27H32F3N3OS (C27 H32 F3 N3 OS)

Compound Name

2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide

IUPAC name

2-({[(4-tert-butylphenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(propan-2-yl)-13-thiazole-4-carboxamide

SMILES

CC(C)NC(c1csc(CN(Cc2ccc(C(C)(C)C)cc2)Cc2cc(C(F)(F)F)ccc2)n1)=O

InChI

InChI=1S/C27H32F3N3OS/c1-18(2)31-25(34)23-17-35-24(32-23)16-33(14-19-9-11-21(12-10-19)26(3,4)5)15-20-7-6-8-22(13-20)27(28,29)30/h6-13,17-18H,14-16H2,1-5H3,(H,31,34)

InChI Key

WZSIERUIXWGQEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19757577

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.732

Distribution Coefficient, logD

6.732

Water Solubility, LogSw

-5.73

Polar Surface Area

37.838

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V007-4176 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V007-4176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4176?
Check Price and Availability of V007-4176, 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 V007-4176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4176
  • 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 V007-4176 available by request