V009-3379 Screening compound: [4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](4-nitrophenyl)methanone

V009-3379 Screening compound: [4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](4-nitrophenyl)methanone
V009-3379 Screening compound: [4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](4-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3379
[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](4-nitrophenyl)methanone

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

V009-3379

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

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

IUPAC name

5-methyl-3-[4-(4-nitrobenzoyl)piperazin-1-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

Cc1nc(N(CC2)CCN2C(c(cc2)ccc2[N+]([O-])=O)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C22H23N5O3S/c1-14-23-20(19-17-4-2-3-5-18(17)31-21(19)24-14)25-10-12-26(13-11-25)22(28)15-6-8-16(9-7-15)27(29)30/h6-9H,2-5,10-13H2,1H3

InChI Key

DTKLMBDIMJCASI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850691

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.44

Polar Surface Area

72.671

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V009-3379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3379?
Check Price and Availability of V009-3379, 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 V009-3379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3379
  • 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 V009-3379 available by request