D643-0111 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 (4-isopropylphenyl) ether

D643-0111 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 (4-isopropylphenyl) ether
D643-0111 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 (4-isopropylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0111
[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (4-isopropylphenyl) 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

D643-0111

Molecular Formula

C22H19F2N5OS (C22 H19 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 (4-isopropylphenyl) ether

IUPAC name

13-(difluoromethyl)-11-methyl-4-{[4-(propan-2-yl)phenoxy]methyl}-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

CC(C)c(cc1)ccc1OCc1nn(cnc2c3sc4nc(C(F)F)cc(C)c24)c3n1

InChI

InChI=1S/C22H19F2N5OS/c1-11(2)13-4-6-14(7-5-13)30-9-16-27-21-19-18(25-10-29(21)28-16)17-12(3)8-15(20(23)24)26-22(17)31-19/h4-8,10-11,20H,9H2,1-3H3

InChI Key

WPZYQUXPDVOQIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.72

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

27.30

D643-0111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D643-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0111?
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What is the minimum amount of D643-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0111
  • 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 D643-0111 available by request