D643-0082 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0082 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0082 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0082
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D643-0082

Molecular Formula

C19H16F3N7S (C19 H16 F3 N7 S)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-11-methyl-13-(trifluoromethyl)-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

Cc1c(CCc2nn(cnc3c4sc5nc(C(F)(F)F)cc(C)c35)c4n2)c(C)n[nH]1

InChI

InChI=1S/C19H16F3N7S/c1-8-6-12(19(20,21)22)24-18-14(8)15-16(30-18)17-25-13(28-29(17)7-23-15)5-4-11-9(2)26-27-10(11)3/h6-7H,4-5H2,1-3H3,(H,26,27)

InChI Key

STGPUCAPHDVANQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.55

Polar Surface Area

65.126

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D643-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D643-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0082?
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What is the minimum amount of D643-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0082
  • 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 D643-0082 available by request