8003-5049 Screening compound: N-(3-bromophenyl)-3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)butanamide

8003-5049 Screening compound: N-(3-bromophenyl)-3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)butanamide
8003-5049 Screening compound: N-(3-bromophenyl)-3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5049
N-(3-bromophenyl)-3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)butanamide

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

8003-5049

Molecular Formula

C14H17BrN4O4 (C14 H17 BrN4 O4)

Compound Name

N-(3-bromophenyl)-3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)butanamide

IUPAC name

(3E)-N-(3-bromophenyl)-3-({[(2-hydroxyethyl)carbamoyl]formamido}imino)butanamide

SMILES

C/C(/CC(Nc1cccc(Br)c1)=O)=N\NC(C(NCCO)=O)=O

InChI

InChI=1S/C14H17BrN4O4/c1-9(18-19-14(23)13(22)16-5-6-20)7-12(21)17-11-4-2-3-10(15)8-11/h2-4,8,20H,5-7H2,1H3,(H,16,22)(H,17,21)(H,19,23)

InChI Key

NBJQOFATAXIULA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.469

Distribution Coefficient, logD

-1.064

Water Solubility, LogSw

-1.98

Polar Surface Area

99.526

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8003-5049 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8003-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5049?
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What is the minimum amount of 8003-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5049
  • 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 8003-5049 available by request