C066-4739 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate

C066-4739 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate
C066-4739 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4739
methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate

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

C066-4739

Molecular Formula

C17H17FN4O3S (C17 H17 FN4 O3 S)

Compound Name

methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-{[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]amino}-4-(methylsulfanyl)butanoate

SMILES

COC(C(CCSC)Nc1ncnc2c1c(-c(cc1)ccc1F)no2)=O

InChI

InChI=1S/C17H17FN4O3S/c1-24-17(23)12(7-8-26-2)21-15-13-14(10-3-5-11(18)6-4-10)22-25-16(13)20-9-19-15/h3-6,9,12H,7-8H2,1-2H3,(H,19,20,21)/t12-/m0/s1

InChI Key

CHRPOGIGYMXNTD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14716028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-3.01

Polar Surface Area

74.099

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C066-4739 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-4739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4739?
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What is the minimum amount of C066-4739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4739
  • 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 C066-4739 available by request