K850-0279 Screening compound: 2-[6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

K850-0279 Screening compound: 2-[6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
K850-0279 Screening compound: 2-[6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K850-0279
2-[6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

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

K850-0279

Molecular Formula

C27H25FN4O4S (C27 H25 FN4 O4 S)

Compound Name

2-[6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

IUPAC name

2-[6-(6-fluoro-2-methyl-1234-tetrahydroquinoline-1-carbonyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

SMILES

CC(CC1)N(C(c2c(C)c(C(N(CC(Nc(cccc3)c3OC)=O)C=N3)=O)c3s2)=O)c(cc2)c1cc2F

InChI

InChI=1S/C27H25FN4O4S/c1-15-8-9-17-12-18(28)10-11-20(17)32(15)27(35)24-16(2)23-25(37-24)29-14-31(26(23)34)13-22(33)30-19-6-4-5-7-21(19)36-3/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,30,33)/t15-/m0/s1

InChI Key

JNEZXSCFLYBYBB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15110834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.21

Polar Surface Area

70.575

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K850-0279 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K850-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K850-0279?
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What is the minimum amount of K850-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K850-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K850-0279
  • 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 K850-0279 available by request