G394-0413 Screening compound: 1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazine

G394-0413 Screening compound: 1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazine
G394-0413 Screening compound: 1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0413
1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]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

G394-0413

Molecular Formula

C24H29ClN6OS (C24 H29 ClN6 OS)

Compound Name

1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazine

IUPAC name

1-(3-chlorophenyl)-4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[23-d]pyrimidine-6-carbonyl]piperazine

SMILES

CCN(CC1)CCN1c1ncnc2c1c(C)c(C(N(CC1)CCN1c1cccc(Cl)c1)=O)s2

InChI

InChI=1S/C24H29ClN6OS/c1-3-28-7-9-30(10-8-28)22-20-17(2)21(33-23(20)27-16-26-22)24(32)31-13-11-29(12-14-31)19-6-4-5-18(25)15-19/h4-6,15-16H,3,7-14H2,1-2H3

InChI Key

YUALMTUZFBLNCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-4.49

Polar Surface Area

47.984

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G394-0413 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G394-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0413?
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What is the minimum amount of G394-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0413
  • 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 G394-0413 available by request