D643-0059 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0059 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0059 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-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 D643-0059
2-[(3,5-dimethylphenoxy)methyl]-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

D643-0059

Molecular Formula

C21H16F3N5OS (C21 H16 F3 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCc2nn(cnc3c4sc5nc(C(F)(F)F)cc(C)c35)c4n2)cc(C)c1

InChI

InChI=1S/C21H16F3N5OS/c1-10-4-11(2)6-13(5-10)30-8-15-27-19-18-17(25-9-29(19)28-15)16-12(3)7-14(21(22,23)24)26-20(16)31-18/h4-7,9H,8H2,1-3H3

InChI Key

MQECPFMEOMNIPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

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

5.562

Distribution Coefficient, logD

5.560

Water Solubility, LogSw

-5.78

Polar Surface Area

48.710

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D643-0059 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D643-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0059?
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What is the minimum amount of D643-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0059
  • 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 D643-0059 available by request