3683-0531 Screening compound: 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid

3683-0531 Screening compound: 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid
3683-0531 Screening compound: 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0531
2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid

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

3683-0531

Molecular Formula

C16H21FO3 (C16 H21 FO3)

Compound Name

2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid

IUPAC name

2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetic acid

SMILES

CCC(C)(C1)OCCC1(CC(O)=O)c(cc1)ccc1F

InChI

InChI=1S/C16H21FO3/c1-3-15(2)11-16(8-9-20-15,10-14(18)19)12-4-6-13(17)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,19)

InChI Key

RMZGDUOTDZVLFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

0.694

Water Solubility, LogSw

-3.23

Polar Surface Area

35.936

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

3683-0531 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3683-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0531?
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What is the minimum amount of 3683-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0531
  • 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 3683-0531 available by request