K018-0031 Screening compound: ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K018-0031 Screening compound: ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K018-0031 Screening compound: ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K018-0031
ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

K018-0031

Molecular Formula

C27H25N5O4S (C27 H25 N5 O4 S)

Compound Name

ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-[(E)-({4-[3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(C=N2)/N=C/c(cc3)ccc3N(CC3)N=C3c(cc3)ccc3OC)=O)c2s1)=O

InChI

InChI=1S/C27H25N5O4S/c1-4-36-27(34)24-17(2)23-25(37-24)28-16-32(26(23)33)29-15-18-5-9-20(10-6-18)31-14-13-22(30-31)19-7-11-21(35-3)12-8-19/h5-12,15-16H,4,13-14H2,1-3H3

InChI Key

WDVQTILXBHPWCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.34

Polar Surface Area

79.378

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K018-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K018-0031?
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What is the minimum amount of K018-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K018-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K018-0031
  • 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 K018-0031 available by request