K018-0032 Screening compound: 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

K018-0032 Screening compound: 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
K018-0032 Screening compound: 3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K018-0032
3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

K018-0032

Molecular Formula

C29H23N5O2S (C29 H23 N5 O2 S)

Compound Name

3-[(E)-({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

3-[(E)-({4-[3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-phenyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1C(CC1)=NN1c1ccc(/C=N/N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)cc1

InChI

InChI=1S/C29H23N5O2S/c1-36-24-13-9-22(10-14-24)26-15-16-33(32-26)23-11-7-20(8-12-23)17-31-34-19-30-28-27(29(34)35)25(18-37-28)21-5-3-2-4-6-21/h2-14,17-19H,15-16H2,1H3

InChI Key

RENNDZSXXNIVET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.35

Polar Surface Area

58.353

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with K018-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K018-0032?
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What is the minimum amount of K018-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K018-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K018-0032
  • 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 K018-0032 available by request