V025-6412 Screening compound: 1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

V025-6412 Screening compound: 1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one
V025-6412 Screening compound: 1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6412
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-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

V025-6412

Molecular Formula

C27H31N3O3S2 (C27 H31 N3 O3 S2)

Compound Name

1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

IUPAC name

1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]ethan-1-one

SMILES

CC(CN(CC1)C(CN(CCc2c3ccs2)C3c2c(C)cccc2)=O)N1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C27H31N3O3S2/c1-20-8-6-7-11-23(20)27-24-13-17-34-25(24)12-14-29(27)19-26(31)28-15-16-30(21(2)18-28)35(32,33)22-9-4-3-5-10-22/h3-11,13,17,21,27H,12,14-16,18-19H2,1-2H3

InChI Key

KPRPOYUPQPEWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939674

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.17

Polar Surface Area

52.036

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V025-6412 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 V025-6412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6412?
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What is the minimum amount of V025-6412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6412
  • 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 V025-6412 available by request