D643-0138 Screening compound: 9-(difluoromethyl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0138 Screening compound: 9-(difluoromethyl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0138 Screening compound: 9-(difluoromethyl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7-methylpyrido[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 D643-0138
9-(difluoromethyl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7-methylpyrido[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

D643-0138

Molecular Formula

C19H17F2N7S (C19 H17 F2 N7 S)

Compound Name

9-(difluoromethyl)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

13-(difluoromethyl)-4-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-11-methyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

Cc1cc(C)nn1CCc1nn(cnc2c3sc4nc(C(F)F)cc(C)c24)c3n1

InChI

InChI=1S/C19H17F2N7S/c1-9-6-12(17(20)21)23-19-14(9)15-16(29-19)18-24-13(26-28(18)8-22-15)4-5-27-11(3)7-10(2)25-27/h6-8,17H,4-5H2,1-3H3

InChI Key

SROHLWSYTDAPIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-2.86

Polar Surface Area

55.196

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D643-0138 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D643-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0138?
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What is the minimum amount of D643-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0138
  • 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 D643-0138 available by request