V006-5913 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide

V006-5913 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide
V006-5913 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5913
2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-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

V006-5913

Molecular Formula

C40H34F3N3O2S (C40 H34 F3 N3 O2 S)

Compound Name

2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-[({[4-(benzyloxy)phenyl]methyl}({[3-(trifluoromethyl)phenyl]methyl})amino)methyl]-N-(diphenylmethyl)-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(CN(Cc(cc2)ccc2OCc2ccccc2)Cc2cc(C(F)(F)F)ccc2)n1)NC(c1ccccc1)c1ccccc1

InChI

InChI=1S/C40H34F3N3O2S/c41-40(42,43)34-18-10-13-31(23-34)25-46(24-29-19-21-35(22-20-29)48-27-30-11-4-1-5-12-30)26-37-44-36(28-49-37)39(47)45-38(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-23,28,38H,24-27H2,(H,45,47)

InChI Key

ZTTSIXGJRDIALP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19757673

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

677.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.708

Distribution Coefficient, logD

8.708

Water Solubility, LogSw

-6.30

Polar Surface Area

44.901

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

V006-5913 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 V006-5913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5913?
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What is the minimum amount of V006-5913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5913
  • 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 V006-5913 available by request