V031-2694 Screening compound: 2-chloro-1-[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-ethanone

V031-2694 Screening compound: 2-chloro-1-[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-ethanone
V031-2694 Screening compound: 2-chloro-1-[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2694
2-chloro-1-[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-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

V031-2694

Molecular Formula

C20H27ClN4OS (C20 H27 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCc1nc(sc2c3CCC(C)C2)c3c(N(CC2)CCN2C(CCl)=O)n1

InChI

InChI=1S/C20H27ClN4OS/c1-3-4-16-22-19(25-9-7-24(8-10-25)17(26)12-21)18-14-6-5-13(2)11-15(14)27-20(18)23-16/h13H,3-12H2,1-2H3/t13-/m1/s1

InChI Key

JUIVKWWANBGSQT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD19845390

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.74

Polar Surface Area

40.411

Acid Dissociation Constant (pKa)

21.96

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

V031-2694 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V031-2694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2694?
Check Price and Availability of V031-2694, 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 V031-2694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2694
  • 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 V031-2694 available by request