G953-0262 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamide

G953-0262 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamide
G953-0262 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamide

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

G953-0262

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[2-(35-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-3-yl]acetamide

SMILES

Cc1cc(C)nn1C(N1CC(Nc(cc2)cc3c2OCCO3)=O)=NC(CCC2)=C2C1=O

InChI

InChI=1S/C22H23N5O4/c1-13-10-14(2)27(25-13)22-24-17-5-3-4-16(17)21(29)26(22)12-20(28)23-15-6-7-18-19(11-15)31-9-8-30-18/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,28)

InChI Key

WGMGNNGGCQFJHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08958909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.492

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-1.99

Polar Surface Area

78.551

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G953-0262 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G953-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0262?
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What is the minimum amount of G953-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0262
  • 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 G953-0262 available by request