3702-0454 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)piperazine

3702-0454 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)piperazine
3702-0454 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-0454
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)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

3702-0454

Molecular Formula

C19H20BrN3O4 (C19 H20 BrN3 O4)

Compound Name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)piperazine

IUPAC name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrobenzoyl)piperazine

SMILES

COc(ccc(CN(CC1)CCN1C(c(cc1)ccc1[N+]([O-])=O)=O)c1)c1Br

InChI

InChI=1S/C19H20BrN3O4/c1-27-18-7-2-14(12-17(18)20)13-21-8-10-22(11-9-21)19(24)15-3-5-16(6-4-15)23(25)26/h2-7,12H,8-11,13H2,1H3

InChI Key

GUPMKIOWUHBUFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052523

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.25

Polar Surface Area

61.439

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3702-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-0454?
Check Price and Availability of 3702-0454, 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 3702-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-0454
  • 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 3702-0454 available by request