C200-2671 Screening compound: 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

C200-2671 Screening compound: 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
C200-2671 Screening compound: 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2671
6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-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

C200-2671

Molecular Formula

C14H14FN3OS (C14 H14 FN3 OS)

Compound Name

6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

IUPAC name

6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H2H3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

O=C(C(CN(Cc(cc1)ccc1F)CC1)=C1N1)NC1=S

InChI

InChI=1S/C14H14FN3OS/c15-10-3-1-9(2-4-10)7-18-6-5-12-11(8-18)13(19)17-14(20)16-12/h1-4H,5-8H2,(H2,16,17,19,20)

InChI Key

HCCPGJHBLZDJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

0.756

Water Solubility, LogSw

-2.54

Polar Surface Area

39.549

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-2671 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2671?
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What is the minimum amount of C200-2671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2671
  • 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 C200-2671 available by request