K913-0325 Screening compound: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

K913-0325 Screening compound: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate
K913-0325 Screening compound: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0325
ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

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

K913-0325

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)c2c(N(CC3)CCN3c3ccccc3)ncnc2s1)=O)=O

InChI

InChI=1S/C26H31N5O3S/c1-3-34-26(33)19-8-7-11-31(16-19)25(32)22-18(2)21-23(27-17-28-24(21)35-22)30-14-12-29(13-15-30)20-9-5-4-6-10-20/h4-6,9-10,17,19H,3,7-8,11-16H2,1-2H3/t19-/m0/s1

InChI Key

ADPGRQQMTGXXOK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15114113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.41

Polar Surface Area

65.134

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K913-0325 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K913-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0325?
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What is the minimum amount of K913-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0325
  • 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 K913-0325 available by request