V009-2712 Screening compound: 3-chloro-2,2-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one

V009-2712 Screening compound: 3-chloro-2,2-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one
V009-2712 Screening compound: 3-chloro-2,2-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2712
3-chloro-2,2-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one

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

V009-2712

Molecular Formula

C26H34ClN3O2S (C26 H34 ClN3 O2 S)

Compound Name

3-chloro-2,2-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one

IUPAC name

3-chloro-22-dimethyl-1-(2-methyl-4-{2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]acetyl}piperazin-1-yl)propan-1-one

SMILES

CC(CN(CC1)C(CN(CCc2c3ccs2)C3c2c(C)cccc2)=O)N1C(C(C)(C)CCl)=O

InChI

InChI=1S/C26H34ClN3O2S/c1-18-7-5-6-8-20(18)24-21-10-14-33-22(21)9-11-29(24)16-23(31)28-12-13-30(19(2)15-28)25(32)26(3,4)17-27/h5-8,10,14,19,24H,9,11-13,15-17H2,1-4H3

InChI Key

ZMTSHLRFUBMUEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939568

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.36

Polar Surface Area

36.468

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V009-2712 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V009-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2712?
Check Price and Availability of V009-2712, 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 V009-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2712
  • 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 V009-2712 available by request