8019-1603 Screening compound: 4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

8019-1603 Screening compound: 4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
8019-1603 Screening compound: 4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1603
4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

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

8019-1603

Molecular Formula

C22H17F3N4O3S (C22 H17 F3 N4 O3 S)

Compound Name

4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

IUPAC name

4-methyl-N-[1-(4-methylphenyl)-46-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]benzamide

SMILES

Cc(cc1)ccc1C(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(c3ccc(C)cc3)C1=S)C2=O)=O

InChI

InChI=1S/C22H17F3N4O3S/c1-11-3-7-13(8-4-11)17(30)28-21(22(23,24)25)15-16(26-19(21)32)29(20(33)27-18(15)31)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,26,32)(H,28,30)(H,27,31,33)/t21-/m0/s1

InChI Key

HYSNCSIDZTXBIP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06177220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

-0.308

Water Solubility, LogSw

-3.75

Polar Surface Area

76.440

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8019-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1603?
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What is the minimum amount of 8019-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1603
  • 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 8019-1603 available by request