C066-4987 Screening compound: ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C066-4987 Screening compound: ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
C066-4987 Screening compound: ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4987
ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

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

C066-4987

Molecular Formula

C16H13FN2O3S (C16 H13 FN2 O3 S)

Compound Name

ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 4-(2-fluorophenoxy)-5-methylthieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c(sc1ncn2)c(C)c1c2Oc(cccc1)c1F)=O

InChI

InChI=1S/C16H13FN2O3S/c1-3-21-16(20)13-9(2)12-14(18-8-19-15(12)23-13)22-11-7-5-4-6-10(11)17/h4-8H,3H2,1-2H3

InChI Key

NWAXJGWJYSVXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.53

Polar Surface Area

49.499

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C066-4987 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-4987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4987?
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What is the minimum amount of C066-4987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4987
  • 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 C066-4987 available by request