G668-0234 Screening compound: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0234 Screening compound: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0234 Screening compound: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0234
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

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

G668-0234

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

CCn1nc(C)c(CCNC(C(C2)COc3c2cccc3)=O)c1C

InChI

InChI=1S/C19H25N3O2/c1-4-22-14(3)17(13(2)21-22)9-10-20-19(23)16-11-15-7-5-6-8-18(15)24-12-16/h5-8,16H,4,9-12H2,1-3H3,(H,20,23)/t16-/m0/s1

InChI Key

DYLVCGLZVFPDRC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15027646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.59

Polar Surface Area

47.141

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

G668-0234 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G668-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0234?
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What is the minimum amount of G668-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0234
  • 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 G668-0234 available by request