8019-1531 Screening compound: N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide

8019-1531 Screening compound: N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide
8019-1531 Screening compound: N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1531
N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]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

8019-1531

Molecular Formula

C25H24F3N5O7S2 (C25 H24 F3 N5 O7 S2)

Compound Name

N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide

IUPAC name

N-[4-({1-[2-(34-dimethoxyphenyl)ethyl]-46-dioxo-2-sulfanylidene-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(CCc(cc3)cc(OC)c3OC)C1=S)C2=O)(=O)=O)=O

InChI

InChI=1S/C25H24F3N5O7S2/c1-13(34)29-15-5-7-16(8-6-15)42(37,38)32-24(25(26,27)28)19-20(30-22(24)36)33(23(41)31-21(19)35)11-10-14-4-9-17(39-2)18(12-14)40-3/h4-9,12,32H,10-11H2,1-3H3,(H,29,34)(H,30,36)(H,31,35,41)/t24-/m0/s1

InChI Key

HOQSWFFJSBRSGZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06177149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.62

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

-1.897

Water Solubility, LogSw

-2.63

Polar Surface Area

133.111

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8019-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1531?
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What is the minimum amount of 8019-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1531
  • 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 8019-1531 available by request