D643-0097 Screening compound: 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0097 Screening compound: 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0097 Screening compound: 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-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 D643-0097
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-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

D643-0097

Molecular Formula

C22H14F3N7OS (C22 H14 F3 N7 OS)

Compound Name

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

IUPAC name

4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-11-methyl-13-(trifluoromethyl)-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

Cc1c(c(ncn2nc(-c3cc(-c(cc4)ccc4OC)n[nH]3)nc22)c2s2)c2nc(C(F)(F)F)c1

InChI

InChI=1S/C22H14F3N7OS/c1-10-7-15(22(23,24)25)27-21-16(10)17-18(34-21)20-28-19(31-32(20)9-26-17)14-8-13(29-30-14)11-3-5-12(33-2)6-4-11/h3-9H,1-2H3,(H,29,30)

InChI Key

AQKRSHROUGOOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.635

Distribution Coefficient, logD

5.628

Water Solubility, LogSw

-5.88

Polar Surface Area

70.254

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D643-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0097?
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What is the minimum amount of D643-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0097
  • 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 D643-0097 available by request