V027-1969 Screening compound: N-[(2Z)-4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-2,3-dihydro-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide

V027-1969 Screening compound: N-[(2Z)-4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-2,3-dihydro-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide
V027-1969 Screening compound: N-[(2Z)-4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-2,3-dihydro-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1969
N-[(2Z)-4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-2,3-dihydro-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide

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

V027-1969

Molecular Formula

C30H28F3N3O4S (C30 H28 F3 N3 O4 S)

Compound Name

N-[(2Z)-4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-2,3-dihydro-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide

IUPAC name

N-[(2Z)-45-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-23-dihydro-13-thiazol-2-ylidene]-34-dimethoxybenzamide

SMILES

CC(N1Cc2cc(C(NCc3cc(C(F)(F)F)ccc3)=O)ccc2)=C(C)S/C1=N\C(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C30H28F3N3O4S/c1-18-19(2)41-29(35-28(38)23-11-12-25(39-3)26(15-23)40-4)36(18)17-21-8-5-9-22(13-21)27(37)34-16-20-7-6-10-24(14-20)30(31,32)33/h5-15H,16-17H2,1-4H3,(H,34,37)

InChI Key

KKWFVSMMCDYYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796750

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.14

Polar Surface Area

65.434

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V027-1969 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V027-1969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1969?
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What is the minimum amount of V027-1969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1969
  • 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 V027-1969 available by request