4951-1508 Screening compound: ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate

4951-1508 Screening compound: ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate
4951-1508 Screening compound: ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-1508
ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate

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

4951-1508

Molecular Formula

C17H20BrClN4O6 (C17 H20 BrClN4 O6)

Compound Name

ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[2-(2-bromo-4-chlorophenoxy)acetohydrazido]-2-oxoacetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(NNC(COc(ccc(Cl)c1)c1Br)=O)=O)=O)=O

InChI

InChI=1S/C17H20BrClN4O6/c1-2-28-17(27)23-7-5-22(6-8-23)16(26)15(25)21-20-14(24)10-29-13-4-3-11(19)9-12(13)18/h3-4,9H,2,5-8,10H2,1H3,(H,20,24)(H,21,25)

InChI Key

QGSWJUVNHYGGLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02309839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.473

Distribution Coefficient, logD

-0.271

Water Solubility, LogSw

-2.76

Polar Surface Area

98.507

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4951-1508 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4951-1508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-1508?
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What is the minimum amount of 4951-1508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-1508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-1508
  • 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 4951-1508 available by request