G604-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide

G604-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
G604-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G604-0145
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)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

G604-0145

Molecular Formula

C21H16F3N3O6S2 (C21 H16 F3 N3 O6 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-16-dihydropyrimidin-2-yl}sulfanyl)acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c1cc(C(F)(F)F)ccc1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H16F3N3O6S2/c22-21(23,24)12-2-1-3-14(8-12)35(30,31)17-10-25-20(27-19(17)29)34-11-18(28)26-13-4-5-15-16(9-13)33-7-6-32-15/h1-5,8-10H,6-7,11H2,(H,26,28)(H,25,27,29)

InChI Key

WUNBQGKBKSDNPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

0.037

Water Solubility, LogSw

-2.68

Polar Surface Area

102.963

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G604-0145 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G604-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G604-0145?
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What is the minimum amount of G604-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G604-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G604-0145
  • 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 G604-0145 available by request