P896-0642 Screening compound: 8-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0642 Screening compound: 8-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0642 Screening compound: 8-{[4-(2-chlorophenyl)piperazin-1-yl]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 P896-0642
8-{[4-(2-chlorophenyl)piperazin-1-yl]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

P896-0642

Molecular Formula

C20H25ClN4O3S (C20 H25 ClN4 O3 S)

Compound Name

8-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

IUPAC name

8-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-1-one

SMILES

CCN(CCCn1c2cc(S(N(CC3)CCN3c(cccc3)c3Cl)(=O)=O)c1)C2=O

InChI

InChI=1S/C20H25ClN4O3S/c1-2-22-8-5-9-24-15-16(14-19(24)20(22)26)29(27,28)25-12-10-23(11-13-25)18-7-4-3-6-17(18)21/h3-4,6-7,14-15H,2,5,8-13H2,1H3

InChI Key

LOCBQONPYVJGJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.23

Polar Surface Area

53.976

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

P896-0642 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P896-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0642?
Check Price and Availability of P896-0642, 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 P896-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0642
  • 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 P896-0642 available by request