D643-0110 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (3,5-dimethylphenyl) ether

D643-0110 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (3,5-dimethylphenyl) ether
D643-0110 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (3,5-dimethylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0110
[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (3,5-dimethylphenyl) ether

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

D643-0110

Molecular Formula

C21H17F2N5OS (C21 H17 F2 N5 OS)

Compound Name

[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (3,5-dimethylphenyl) ether

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H17F2N5OS/c1-10-4-11(2)6-13(5-10)29-8-15-26-20-18-17(24-9-28(20)27-15)16-12(3)7-14(19(22)23)25-21(16)30-18/h4-7,9,19H,8H2,1-3H3

InChI Key

ZUHBHHWUIRCZEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

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

4.971

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.90

Polar Surface Area

48.710

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D643-0110 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 D643-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0110?
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What is the minimum amount of D643-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0110
  • 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 D643-0110 available by request