8013-2628 Screening compound: ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

8013-2628 Screening compound: ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
8013-2628 Screening compound: ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2628
ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

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

8013-2628

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCN1CCN(CCCNC(CC(N2c(cc3)ccc3C(OCC)=O)=O)C2=O)CC1

InChI

InChI=1S/C22H32N4O4/c1-3-24-12-14-25(15-13-24)11-5-10-23-19-16-20(27)26(21(19)28)18-8-6-17(7-9-18)22(29)30-4-2/h6-9,19,23H,3-5,10-16H2,1-2H3/t19-/m0/s1

InChI Key

SBTAXOZHZVWWOS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03487408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.377

Distribution Coefficient, logD

-0.572

Water Solubility, LogSw

-1.92

Polar Surface Area

69.023

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

8013-2628 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-2628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2628?
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What is the minimum amount of 8013-2628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2628
  • 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 8013-2628 available by request