G680-0013 Screening compound: 1-[3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-1-one

G680-0013 Screening compound: 1-[3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-1-one
G680-0013 Screening compound: 1-[3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0013
1-[3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-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

G680-0013

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

1-[3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-1-one

IUPAC name

1-[35-dimethyl-4-(1234-tetrahydroisoquinoline-2-sulfonyl)-1H-pyrazol-1-yl]butan-1-one

SMILES

CCCC(n1nc(C)c(S(N(CC2)Cc3c2cccc3)(=O)=O)c1C)=O

InChI

InChI=1S/C18H23N3O3S/c1-4-7-17(22)21-14(3)18(13(2)19-21)25(23,24)20-11-10-15-8-5-6-9-16(15)12-20/h5-6,8-9H,4,7,10-12H2,1-3H3

InChI Key

AMBOOILGXLJIRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.52

Polar Surface Area

58.969

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G680-0013 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G680-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0013?
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What is the minimum amount of G680-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0013
  • 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 G680-0013 available by request