G540-0075 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine

G540-0075 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine
G540-0075 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-0075
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine

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

G540-0075

Molecular Formula

C24H21FN4O2S (C24 H21 FN4 O2 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[5-(4-fluorophenyl)thieno[23-d]pyrimidin-4-yl]piperazine

SMILES

Fc(cc1)ccc1-c1csc2ncnc(N3CCN(Cc(cc4)cc5c4OCO5)CC3)c12

InChI

InChI=1S/C24H21FN4O2S/c25-18-4-2-17(3-5-18)19-13-32-24-22(19)23(26-14-27-24)29-9-7-28(8-10-29)12-16-1-6-20-21(11-16)31-15-30-20/h1-6,11,13-14H,7-10,12,15H2

InChI Key

XQJUKGXQVFARFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03762538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-5.55

Polar Surface Area

44.923

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G540-0075 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G540-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-0075?
Check Price and Availability of G540-0075, 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 G540-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-0075
  • 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 G540-0075 available by request