G953-0237 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

G953-0237 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
G953-0237 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0237
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]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

G953-0237

Molecular Formula

C22H22F3N5O2 (C22 H22 F3 N5 O2)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[2-(35-dimethyl-1H-pyrazol-1-yl)-4-oxo-345678-hexahydroquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1cc(C)nn1C(N1CC(Nc2cccc(C(F)(F)F)c2)=O)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C22H22F3N5O2/c1-13-10-14(2)30(28-13)21-27-18-9-4-3-8-17(18)20(32)29(21)12-19(31)26-16-7-5-6-15(11-16)22(23,24)25/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,26,31)

InChI Key

BSTKYEINCPSTEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08958827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.18

Polar Surface Area

62.362

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G953-0237 in Drug Discovery

Included in Screening Libraries

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 G953-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0237?
Check Price and Availability of G953-0237, 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 G953-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0237
  • 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 G953-0237 available by request