G604-0144 Screening compound: methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate

G604-0144 Screening compound: methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate
G604-0144 Screening compound: methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G604-0144
methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate

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

G604-0144

Molecular Formula

C21H16F3N3O6S2 (C21 H16 F3 N3 O6 S2)

Compound Name

methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzenesulfonyl]-16-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSC(NC1=O)=NC=C1S(c1cc(C(F)(F)F)ccc1)(=O)=O)=O)=O

InChI

InChI=1S/C21H16F3N3O6S2/c1-33-19(30)12-5-7-14(8-6-12)26-17(28)11-34-20-25-10-16(18(29)27-20)35(31,32)15-4-2-3-13(9-15)21(22,23)24/h2-10H,11H2,1H3,(H,26,28)(H,25,27,29)

InChI Key

FOIZSMOJWSIICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

1.155

Water Solubility, LogSw

-3.63

Polar Surface Area

108.314

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G604-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G604-0144?
Check Price and Availability of G604-0144, 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 G604-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G604-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G604-0144
  • 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 G604-0144 available by request