P223-0982 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidyl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-0982 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidyl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-0982 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidyl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P223-0982
2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidyl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-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

P223-0982

Molecular Formula

C18H25N5O4S (C18 H25 N5 O4 S)

Compound Name

2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidyl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

2-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperidin-3-yl}-5-methyl-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

Cc1noc(C)c1S(N(CCC1)CC1c1nn(CCCN(C)C2=O)c2c1)(=O)=O

InChI

InChI=1S/C18H25N5O4S/c1-12-17(13(2)27-20-12)28(25,26)22-8-4-6-14(11-22)15-10-16-18(24)21(3)7-5-9-23(16)19-15/h10,14H,4-9,11H2,1-3H3/t14-/m0/s1

InChI Key

TYIIPTWLAMGILM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32224091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.028

Distribution Coefficient, logD

0.028

Water Solubility, LogSw

-1.42

Polar Surface Area

83.779

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

P223-0982 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P223-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-0982?
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What is the minimum amount of P223-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-0982
  • 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 P223-0982 available by request