D643-0134 Screening compound: 9-(difluoromethyl)-7-methyl-2-[2-(2-methyl-1H-1,3-benzimidazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0134 Screening compound: 9-(difluoromethyl)-7-methyl-2-[2-(2-methyl-1H-1,3-benzimidazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0134 Screening compound: 9-(difluoromethyl)-7-methyl-2-[2-(2-methyl-1H-1,3-benzimidazol-1-yl)ethyl]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 D643-0134
9-(difluoromethyl)-7-methyl-2-[2-(2-methyl-1H-1,3-benzimidazol-1-yl)ethyl]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

D643-0134

Molecular Formula

C22H17F2N7S (C22 H17 F2 N7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(cccc2)c2n1CCc1nn(cnc2c3sc4nc(C(F)F)cc(C)c24)c3n1

InChI

InChI=1S/C22H17F2N7S/c1-11-9-14(20(23)24)27-22-17(11)18-19(32-22)21-28-16(29-31(21)10-25-18)7-8-30-12(2)26-13-5-3-4-6-15(13)30/h3-6,9-10,20H,7-8H2,1-2H3

InChI Key

BTFDBOOVCWDRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

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

4.247

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.54

Polar Surface Area

52.167

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D643-0134 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D643-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0134?
Check Price and Availability of D643-0134, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D643-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0134
  • 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 D643-0134 available by request