P896-0088 Screening compound: 8-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0088 Screening compound: 8-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0088 Screening compound: 8-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0088
8-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-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

P896-0088

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1S(c1cn(CCCNC2=O)c2c1)(=O)=O

InChI

InChI=1S/C19H24N4O4S/c1-27-18-6-3-2-5-16(18)21-9-11-23(12-10-21)28(25,26)15-13-17-19(24)20-7-4-8-22(17)14-15/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,20,24)

InChI Key

XJSPBVSWVMYZHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-2.47

Polar Surface Area

70.264

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P896-0088 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 P896-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0088?
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What is the minimum amount of P896-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0088
  • 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 P896-0088 available by request