F172-0541 Screening compound: N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3,4,5-triethoxybenzamide

F172-0541 Screening compound: N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3,4,5-triethoxybenzamide
F172-0541 Screening compound: N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0541
N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3,4,5-triethoxybenzamide

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

F172-0541

Molecular Formula

C27H28ClN3O7 (C27 H28 ClN3 O7)

Compound Name

N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3,4,5-triethoxybenzamide

IUPAC name

N-[4-chloro-2-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(ccc(Cl)c2)c2OCC(N=C2N3OC(C)=C2)=CC3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H28ClN3O7/c1-5-34-22-11-17(12-23(35-6-2)26(22)36-7-3)27(33)30-20-9-8-18(28)13-21(20)37-15-19-14-25(32)31-24(29-19)10-16(4)38-31/h8-14H,5-7,15H2,1-4H3,(H,30,33)

InChI Key

VYVCLJFRPHXGSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.43

Polar Surface Area

90.127

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

F172-0541 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F172-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0541?
Check Price and Availability of F172-0541, 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 F172-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0541
  • 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 F172-0541 available by request