V001-3096 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-chloro-1-ethanone

V001-3096 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-chloro-1-ethanone
V001-3096 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-chloro-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3096
1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-chloro-1-ethanone

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

V001-3096

Molecular Formula

C21H29ClN4OS (C21 H29 ClN4 OS)

Compound Name

1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-chloro-1-ethanone

IUPAC name

1-(4-{5-butyl-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}piperazin-1-yl)-2-chloroethan-1-one

SMILES

CCCCc1nc(sc2c3CCC(C)C2)c3c(N(CC2)CCN2C(CCl)=O)n1

InChI

InChI=1S/C21H29ClN4OS/c1-3-4-5-17-23-20(26-10-8-25(9-11-26)18(27)13-22)19-15-7-6-14(2)12-16(15)28-21(19)24-17/h14H,3-13H2,1-2H3/t14-/m1/s1

InChI Key

QYDNEAUAEXUPKE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19845485

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

421.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-5.12

Polar Surface Area

40.411

Acid Dissociation Constant (pKa)

21.96

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

V001-3096 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V001-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3096?
Check Price and Availability of V001-3096, 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 V001-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3096
  • 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 V001-3096 available by request