K821-0359 Screening compound: 3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

K821-0359 Screening compound: 3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
K821-0359 Screening compound: 3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K821-0359
3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-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

K821-0359

Molecular Formula

C25H22FN5O4S (C25 H22 FN5 O4 S)

Compound Name

3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1c(C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C25H22FN5O4S/c1-16-21-23(27-15-30(24(21)32)14-17-4-2-3-5-20(17)26)36-22(16)25(33)29-12-10-28(11-13-29)18-6-8-19(9-7-18)31(34)35/h2-9,15H,10-14H2,1H3

InChI Key

DDGZOVXRULFCAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.17

Polar Surface Area

79.531

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K821-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0359?
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What is the minimum amount of K821-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0359
  • 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 K821-0359 available by request