V005-0821 Screening compound: N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-methylbenzamide

V005-0821 Screening compound: N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-methylbenzamide
V005-0821 Screening compound: N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0821
N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-methylbenzamide

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

V005-0821

Molecular Formula

C27H32N4O2S (C27 H32 N4 O2 S)

Compound Name

N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-methylbenzamide

IUPAC name

N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-45-dimethyl-23-dihydro-13-thiazol-2-ylidene]-3-methylbenzamide

SMILES

CCN(CC1)CCN1C(c1cccc(CN(C(C)=C(C)S2)/C2=N/C(c2cc(C)ccc2)=O)c1)=O

InChI

InChI=1S/C27H32N4O2S/c1-5-29-12-14-30(15-13-29)26(33)24-11-7-9-22(17-24)18-31-20(3)21(4)34-27(31)28-25(32)23-10-6-8-19(2)16-23/h6-11,16-17H,5,12-15,18H2,1-4H3

InChI Key

UYCDXXODJUXRNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796751

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.60

Polar Surface Area

45.945

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V005-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0821?
Check Price and Availability of V005-0821, 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 V005-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0821
  • 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 V005-0821 available by request