8019-6993 Screening compound: ethyl 2-[5-(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-2,4-dioxo-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetate

8019-6993 Screening compound: ethyl 2-[5-(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-2,4-dioxo-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetate
8019-6993 Screening compound: ethyl 2-[5-(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-2,4-dioxo-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6993
ethyl 2-[5-(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-2,4-dioxo-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetate

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

8019-6993

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

ethyl 2-[5-(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-2,4-dioxo-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetate

IUPAC name

ethyl 2-[5-(25-dimethylthiophen-3-yl)-13-dimethyl-24-dioxo-6-phenyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-7-yl]acetate

SMILES

CCOC(Cn(c(-c1ccccc1)c1-c2c(C)sc(C)c2)c(N(C)C(N2C)=O)c1C2=O)=O

InChI

InChI=1S/C24H25N3O4S/c1-6-31-18(28)13-27-21(16-10-8-7-9-11-16)19(17-12-14(2)32-15(17)3)20-22(27)25(4)24(30)26(5)23(20)29/h7-12H,6,13H2,1-5H3

InChI Key

POWCGHDFGAQADH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-4.73

Polar Surface Area

52.980

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 8019-6993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6993?
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What is the minimum amount of 8019-6993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6993
  • 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 8019-6993 available by request