8545-1407 Screening compound: cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

8545-1407 Screening compound: cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
8545-1407 Screening compound: cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8545-1407
cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

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

8545-1407

Molecular Formula

C21H27BrN2O5 (C21 H27 BrN2 O5)

Compound Name

cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

IUPAC name

cyclohexyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

SMILES

CCOc(ccc(Br)c1)c1C(N(CCN1)C(CC(OC2CCCCC2)=O)C1=O)=O

InChI

InChI=1S/C21H27BrN2O5/c1-2-28-18-9-8-14(22)12-16(18)21(27)24-11-10-23-20(26)17(24)13-19(25)29-15-6-4-3-5-7-15/h8-9,12,15,17H,2-7,10-11,13H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

ZGWHJWSXJDSWKC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07551364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.54

Polar Surface Area

68.136

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

8545-1407 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8545-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8545-1407?
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What is the minimum amount of 8545-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8545-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8545-1407
  • 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 8545-1407 available by request