E920-0645 Screening compound: 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole

E920-0645 Screening compound: 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
E920-0645 Screening compound: 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0645
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole

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

E920-0645

Molecular Formula

C19H22FN3O2 (C19 H22 FN3 O2)

Compound Name

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole

IUPAC name

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4567-tetrahydro-12-benzoxazole

SMILES

CC(CC1)Cc2c1onc2C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C19H22FN3O2/c1-13-6-7-17-14(12-13)18(21-25-17)19(24)23-10-8-22(9-11-23)16-5-3-2-4-15(16)20/h2-5,13H,6-12H2,1H3/t13-/m1/s1

InChI Key

GYNVIVKSFOSEQM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD09784452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.75

Polar Surface Area

42.246

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

E920-0645 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E920-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0645?
Check Price and Availability of E920-0645, 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 E920-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0645
  • 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 E920-0645 available by request