D643-0128 Screening compound: 1-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl (1-naphthyl) ether

D643-0128 Screening compound: 1-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl (1-naphthyl) ether
D643-0128 Screening compound: 1-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl (1-naphthyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0128
1-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl (1-naphthyl) 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

D643-0128

Molecular Formula

C24H17F2N5OS (C24 H17 F2 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(c1nn(cnc2c3sc4nc(C(F)F)cc(C)c24)c3n1)Oc1cccc2ccccc12

InChI

InChI=1S/C24H17F2N5OS/c1-12-10-16(21(25)26)28-24-18(12)19-20(33-24)23-29-22(30-31(23)11-27-19)13(2)32-17-9-5-7-14-6-3-4-8-15(14)17/h3-11,13,21H,1-2H3/t13-/m0/s1

InChI Key

FKWIMWDWAUKTIR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27595202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

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

6.129

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-7.01

Polar Surface Area

46.825

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D643-0128 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with D643-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0128?
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What is the minimum amount of D643-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0128
  • 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 D643-0128 available by request