K889-0500 Screening compound: N-(2,6-difluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

K889-0500 Screening compound: N-(2,6-difluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
K889-0500 Screening compound: N-(2,6-difluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K889-0500
N-(2,6-difluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)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

K889-0500

Molecular Formula

C20H20F2N4OS (C20 H20 F2 N4 OS)

Compound Name

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

IUPAC name

N-(26-difluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(CCCC1)N1c1c(c(C)c(C(Nc(c(F)ccc2)c2F)=O)s2)c2ncn1

InChI

InChI=1S/C20H20F2N4OS/c1-11-6-3-4-9-26(11)18-15-12(2)17(28-20(15)24-10-23-18)19(27)25-16-13(21)7-5-8-14(16)22/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,25,27)/t11-/m0/s1

InChI Key

AIXCJWWSXCORID-NSHDSACASA-N

MDL Number (MFCD)

MFCD15110955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.39

Polar Surface Area

45.519

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

K889-0500 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K889-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K889-0500?
Check Price and Availability of K889-0500, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K889-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K889-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K889-0500
  • 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 K889-0500 available by request