1502-0074 Screening compound: N-{2,2,2-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide

1502-0074 Screening compound: N-{2,2,2-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide
1502-0074 Screening compound: N-{2,2,2-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-0074
N-{2,2,2-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide

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

1502-0074

Molecular Formula

C15H12Br3N3O3 (C15 H12 Br3 N3 O3)

Compound Name

N-{2,2,2-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide

IUPAC name

N-{222-tribromo-1-[(4-nitrophenyl)amino]ethyl}benzamide

SMILES

[O-][N+](c(cc1)ccc1NC(C(Br)(Br)Br)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C15H12Br3N3O3/c16-15(17,18)14(20-13(22)10-4-2-1-3-5-10)19-11-6-8-12(9-7-11)21(23)24/h1-9,14,19H,(H,20,22)/t14-/m1/s1

InChI Key

PFMVXRDTXVPETI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00548812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.49

Polar Surface Area

66.831

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

1502-0074 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1502-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-0074?
Check Price and Availability of 1502-0074, 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 1502-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-0074
  • 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 1502-0074 available by request