V005-6450 Screening compound: 3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxopropanenitrile

V005-6450 Screening compound: 3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxopropanenitrile
V005-6450 Screening compound: 3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-6450
3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxopropanenitrile

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

V005-6450

Molecular Formula

C27H25FN4O3S (C27 H25 FN4 O3 S)

Compound Name

3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxopropanenitrile

IUPAC name

3-(4-cyclopropanecarbonylpiperazin-1-yl)-2-[(2Z)-3-(4-fluorophenyl)-4-(3-methoxyphenyl)-23-dihydro-13-thiazol-2-ylidene]-3-oxopropanenitrile

SMILES

COc1cccc(C(N2c(cc3)ccc3F)=CS/C2=C(\C(N(CC2)CCN2C(C2CC2)=O)=O)/C#N)c1

InChI

InChI=1S/C27H25FN4O3S/c1-35-22-4-2-3-19(15-22)24-17-36-27(32(24)21-9-7-20(28)8-10-21)23(16-29)26(34)31-13-11-30(12-14-31)25(33)18-5-6-18/h2-4,7-10,15,17-18H,5-6,11-14H2,1H3

InChI Key

VMSJUKMFOPTIGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.30

Polar Surface Area

62.215

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V005-6450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-6450?
Check Price and Availability of V005-6450, 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 V005-6450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-6450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-6450
  • 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 V005-6450 available by request