8019-4591 Screening compound: 5-methyl-5-(4-methylcyclohex-3-en-1-yl)-4,5-dihydro-1,2-oxazole-3-carboxylate

8019-4591 Screening compound: 5-methyl-5-(4-methylcyclohex-3-en-1-yl)-4,5-dihydro-1,2-oxazole-3-carboxylate
8019-4591 Screening compound: 5-methyl-5-(4-methylcyclohex-3-en-1-yl)-4,5-dihydro-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4591
5-methyl-5-(4-methylcyclohex-3-en-1-yl)-4,5-dihydro-1,2-oxazole-3-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

8019-4591

Molecular Formula

C12H16NO3 (C12 H16 NO3)

Compound Name

5-methyl-5-(4-methylcyclohex-3-en-1-yl)-4,5-dihydro-1,2-oxazole-3-carboxylate

IUPAC name

5-methyl-5-[(1R)-4-methylcyclohex-3-en-1-yl]-45-dihydro-12-oxazole-3-carboxylate

SMILES

CC(C1)(C2CC=C(C)CC2)ON=C1C([O-])=O

InChI

InChI=1S/C12H17NO3/c1-8-3-5-9(6-4-8)12(2)7-10(11(14)15)13-16-12/h3,9H,4-7H2,1-2H3,(H,14,15)/p-1/t9-,12?/m1/s1

InChI Key

BVSRPFFUJYAQCM-PKEIRNPWSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

222.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-1.95

Polar Surface Area

50.729

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

8019-4591 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-4591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4591?
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What is the minimum amount of 8019-4591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4591
  • 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 8019-4591 available by request