D643-0063 Screening compound: 2-(4-methoxybenzyl)-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0063 Screening compound: 2-(4-methoxybenzyl)-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0063 Screening compound: 2-(4-methoxybenzyl)-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 D643-0063
2-(4-methoxybenzyl)-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

D643-0063

Molecular Formula

C20H14F3N5OS (C20 H14 F3 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(c(ncn2nc(Cc(cc3)ccc3OC)nc22)c2s2)c2nc(C(F)(F)F)c1

InChI

InChI=1S/C20H14F3N5OS/c1-10-7-13(20(21,22)23)25-19-15(10)16-17(30-19)18-26-14(27-28(18)9-24-16)8-11-3-5-12(29-2)6-4-11/h3-7,9H,8H2,1-2H3

InChI Key

OLYZEFURRHJTSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.97

Polar Surface Area

48.755

Acid Dissociation Constant (pKa)

28.83

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D643-0063 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D643-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0063?
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What is the minimum amount of D643-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0063
  • 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 D643-0063 available by request