K847-0646 Screening compound: N-(2,4-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K847-0646 Screening compound: N-(2,4-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K847-0646 Screening compound: N-(2,4-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K847-0646
N-(2,4-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K847-0646

Molecular Formula

C22H22F2N4O3S (C22 H22 F2 N4 O3 S)

Compound Name

N-(2,4-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(24-difluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(CC1)CCN1C(CN(C=Nc1c2c(C)c(C(Nc(ccc(F)c3)c3F)=O)s1)C2=O)=O

InChI

InChI=1S/C22H22F2N4O3S/c1-12-5-7-27(8-6-12)17(29)10-28-11-25-21-18(22(28)31)13(2)19(32-21)20(30)26-16-4-3-14(23)9-15(16)24/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,26,30)

InChI Key

TWPNNMBAAHAJBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-3.08

Polar Surface Area

65.027

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K847-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K847-0646?
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What is the minimum amount of K847-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K847-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K847-0646
  • 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 K847-0646 available by request