V003-9261 Screening compound: 3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V003-9261 Screening compound: 3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V003-9261 Screening compound: 3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9261
3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-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

V003-9261

Molecular Formula

C32H34N4O4S2 (C32 H34 N4 O4 S2)

Compound Name

3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-(26-dimethoxyphenyl)-1-(23-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc1cccc(-n(c(N2CC(N3CCCC3)=O)c3C(c4cccs4)SCC2=O)nc3-c(c(OC)ccc2)c2OC)c1C

InChI

InChI=1S/C32H34N4O4S2/c1-20-10-7-11-22(21(20)2)36-32-29(30(33-36)28-23(39-3)12-8-13-24(28)40-4)31(25-14-9-17-41-25)42-19-27(38)35(32)18-26(37)34-15-5-6-16-34/h7-14,17,31H,5-6,15-16,18-19H2,1-4H3/t31-/m0/s1

InChI Key

KDRQOZMYZVPMNI-HKBQPEDESA-N

MDL Number (MFCD)

MFCD27498726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.15

Polar Surface Area

62.761

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V003-9261 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-9261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9261?
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What is the minimum amount of V003-9261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9261
  • 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 V003-9261 available by request