V025-2015 Screening compound: 3,4-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-2,3-dihydro-1,3-thiazol-2-ylidene]benzamide

V025-2015 Screening compound: 3,4-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-2,3-dihydro-1,3-thiazol-2-ylidene]benzamide
V025-2015 Screening compound: 3,4-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-2,3-dihydro-1,3-thiazol-2-ylidene]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2015
3,4-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-2,3-dihydro-1,3-thiazol-2-ylidene]benzamide

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

V025-2015

Molecular Formula

C22H18Cl2F3N3O2S (C22 H18 Cl2 F3 N3 O2 S)

Compound Name

3,4-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-2,3-dihydro-1,3-thiazol-2-ylidene]benzamide

IUPAC name

34-dichloro-N-[(2Z)-3-[1-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propyl]-23-dihydro-13-thiazol-2-ylidene]benzamide

SMILES

CCC(C(NCc1cc(C(F)(F)F)ccc1)=O)N(C=CS1)/C1=N/C(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C22H18Cl2F3N3O2S/c1-2-18(20(32)28-12-13-4-3-5-15(10-13)22(25,26)27)30-8-9-33-21(30)29-19(31)14-6-7-16(23)17(24)11-14/h3-11,18H,2,12H2,1H3,(H,28,32)/t18-/m0/s1

InChI Key

YRWRGNOMSOLCEO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19802362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-5.09

Polar Surface Area

49.646

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

V025-2015 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 V025-2015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2015?
Check Price and Availability of V025-2015, 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 V025-2015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2015
  • 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 V025-2015 available by request