E920-0934 Screening compound: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

E920-0934 Screening compound: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
E920-0934 Screening compound: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0934
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-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

E920-0934

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

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

IUPAC name

3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4567-tetrahydro-12-benzoxazole

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c1noc2c1CCCC2)=O)=O

InChI

InChI=1S/C18H20N4O4/c23-18(17-15-3-1-2-4-16(15)26-19-17)21-11-9-20(10-12-21)13-5-7-14(8-6-13)22(24)25/h5-8H,1-4,9-12H2

InChI Key

XCWYIUMLBLJYJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-2.74

Polar Surface Area

75.928

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E920-0934 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 E920-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0934?
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What is the minimum amount of E920-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0934
  • 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 E920-0934 available by request