P896-0673 Screening compound: ethyl 1-({2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-8-yl}sulfonyl)piperidine-4-carboxylate

P896-0673 Screening compound: ethyl 1-({2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-8-yl}sulfonyl)piperidine-4-carboxylate
P896-0673 Screening compound: ethyl 1-({2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-8-yl}sulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0673
ethyl 1-({2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-8-yl}sulfonyl)piperidine-4-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

P896-0673

Molecular Formula

C18H27N3O5S (C18 H27 N3 O5 S)

Compound Name

ethyl 1-({2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-8-yl}sulfonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-({2-ethyl-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-8-yl}sulfonyl)piperidine-4-carboxylate

SMILES

CCN(CCCn1c2cc(S(N(CC3)CCC3C(OCC)=O)(=O)=O)c1)C2=O

InChI

InChI=1S/C18H27N3O5S/c1-3-19-8-5-9-20-13-15(12-16(20)17(19)22)27(24,25)21-10-6-14(7-11-21)18(23)26-4-2/h12-14H,3-11H2,1-2H3

InChI Key

YIHKNSVHLGLOEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-1.96

Polar Surface Area

71.770

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

P896-0673 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P896-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0673?
Check Price and Availability of P896-0673, 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 P896-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0673
  • 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 P896-0673 available by request