P896-0689F Screening compound: 8-(azepane-1-sulfonyl)-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0689F Screening compound: 8-(azepane-1-sulfonyl)-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0689F Screening compound: 8-(azepane-1-sulfonyl)-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0689F
8-(azepane-1-sulfonyl)-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

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

P896-0689F

Molecular Formula

C16H25N3O3S (C16 H25 N3 O3 S)

Compound Name

8-(azepane-1-sulfonyl)-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

IUPAC name

8-(azepane-1-sulfonyl)-2-ethyl-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-1-one

SMILES

CCN(CCCn1c2cc(S(N3CCCCCC3)(=O)=O)c1)C2=O

InChI

InChI=1S/C16H25N3O3S/c1-2-17-8-7-9-18-13-14(12-15(18)16(17)20)23(21,22)19-10-5-3-4-6-11-19/h12-13H,2-11H2,1H3

InChI Key

PMSQCXCEPFLNAD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-2.18

Polar Surface Area

51.347

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

References: we are preparing a list of scientific research reports with P896-0689F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0689F?
Check Price and Availability of P896-0689F, 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 P896-0689F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0689F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0689F
  • 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 P896-0689F available by request