K833-0149 Screening compound: 4-(pentyloxy)phenyl 3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

K833-0149 Screening compound: 4-(pentyloxy)phenyl 3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
K833-0149 Screening compound: 4-(pentyloxy)phenyl 3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K833-0149
4-(pentyloxy)phenyl 3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[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

K833-0149

Molecular Formula

C26H25ClN2O4S (C26 H25 ClN2 O4 S)

Compound Name

4-(pentyloxy)phenyl 3-(2-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

4-(pentyloxy)phenyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCCCCOc(cc1)ccc1OC(c1c(C)c(C(N(Cc(cccc2)c2Cl)C=N2)=O)c2s1)=O

InChI

InChI=1S/C26H25ClN2O4S/c1-3-4-7-14-32-19-10-12-20(13-11-19)33-26(31)23-17(2)22-24(34-23)28-16-29(25(22)30)15-18-8-5-6-9-21(18)27/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3

InChI Key

MBFOTXUMICSTGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.558

Distribution Coefficient, logD

6.558

Water Solubility, LogSw

-6.21

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

References: we are preparing a list of scientific research reports with K833-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K833-0149?
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What is the minimum amount of K833-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K833-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K833-0149
  • 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 K833-0149 available by request