3800-0061 Screening compound: 1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine

3800-0061 Screening compound: 1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine
3800-0061 Screening compound: 1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3800-0061
1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine

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

3800-0061

Molecular Formula

C19H20ClN3O4 (C19 H20 ClN3 O4)

Compound Name

1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine

IUPAC name

1-(2-chloro-4-nitrophenyl)-4-(4-ethoxybenzoyl)piperazine

SMILES

CCOc(cc1)ccc1C(N(CC1)CCN1c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C19H20ClN3O4/c1-2-27-16-6-3-14(4-7-16)19(24)22-11-9-21(10-12-22)18-8-5-15(23(25)26)13-17(18)20/h3-8,13H,2,9-12H2,1H3

InChI Key

BFLAREVGEQQZRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.43

Polar Surface Area

60.351

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3800-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3800-0061?
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What is the minimum amount of 3800-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3800-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3800-0061
  • 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 3800-0061 available by request