V025-6810 Screening compound: 1-[3-methyl-4-(2-naphthylcarbonyl)piperazino]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

V025-6810 Screening compound: 1-[3-methyl-4-(2-naphthylcarbonyl)piperazino]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone
V025-6810 Screening compound: 1-[3-methyl-4-(2-naphthylcarbonyl)piperazino]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6810
1-[3-methyl-4-(2-naphthylcarbonyl)piperazino]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

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

V025-6810

Molecular Formula

C33H35N3O2S (C33 H35 N3 O2 S)

Compound Name

1-[3-methyl-4-(2-naphthylcarbonyl)piperazino]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

IUPAC name

1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propan-1-one

SMILES

CC(CN(CC1)C(CCN(CCc2c3ccs2)C3c2ccc(C)cc2)=O)N1C(c1cc2ccccc2cc1)=O

InChI

InChI=1S/C33H35N3O2S/c1-23-7-9-26(10-8-23)32-29-15-20-39-30(29)13-16-34(32)17-14-31(37)35-18-19-36(24(2)22-35)33(38)28-12-11-25-5-3-4-6-27(25)21-28/h3-12,15,20-21,24,32H,13-14,16-19,22H2,1-2H3

InChI Key

GYRPANCBDYEPOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939784

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.73

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

5.915

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-6.48

Polar Surface Area

35.903

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

V025-6810 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 V025-6810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6810?
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What is the minimum amount of V025-6810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6810
  • 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 V025-6810 available by request