8013-5866 Screening compound: 3-amino-4,4,6,6-tetramethyl-4H,5H,6H,7H-[1,2]oxazolo[4,3-c]pyridin-5-yl benzoate

8013-5866 Screening compound: 3-amino-4,4,6,6-tetramethyl-4H,5H,6H,7H-[1,2]oxazolo[4,3-c]pyridin-5-yl benzoate
8013-5866 Screening compound: 3-amino-4,4,6,6-tetramethyl-4H,5H,6H,7H-[1,2]oxazolo[4,3-c]pyridin-5-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5866
3-amino-4,4,6,6-tetramethyl-4H,5H,6H,7H-[1,2]oxazolo[4,3-c]pyridin-5-yl benzoate

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

8013-5866

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

3-amino-4,4,6,6-tetramethyl-4H,5H,6H,7H-[1,2]oxazolo[4,3-c]pyridin-5-yl benzoate

IUPAC name

3-amino-4466-tetramethyl-4H5H6H7H-[12]oxazolo[43-c]pyridin-5-yl benzoate

SMILES

CC(C)(Cc1noc(N)c1C1(C)C)N1OC(c1ccccc1)=O

InChI

InChI=1S/C17H21N3O3/c1-16(2)10-12-13(14(18)22-19-12)17(3,4)20(16)23-15(21)11-8-6-5-7-9-11/h5-9H,10,18H2,1-4H3

InChI Key

ULMWZANNTSMTBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.31

Polar Surface Area

68.984

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8013-5866 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 8013-5866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5866?
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What is the minimum amount of 8013-5866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5866
  • 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 8013-5866 available by request