D472-0983 Screening compound: 2-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-1,3-thiazole

D472-0983 Screening compound: 2-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-1,3-thiazole
D472-0983 Screening compound: 2-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0983
2-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-1,3-thiazole

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

D472-0983

Molecular Formula

C22H22N6S (C22 H22 N6 S)

Compound Name

2-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-1,3-thiazole

IUPAC name

4-(4-tert-butylphenyl)-1112-dimethyl-10-(13-thiazol-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(cnc2c3c(C)c(C)n2-c2nccs2)c3n1

InChI

InChI=1S/C22H22N6S/c1-13-14(2)28(21-23-10-11-29-21)19-17(13)20-25-18(26-27(20)12-24-19)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3

InChI Key

WIUNHAWXIVGQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.82

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D472-0983 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D472-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0983
  • 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 D472-0983 available by request