C226-4665 Screening compound: 2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,3-benzodiazole

C226-4665 Screening compound: 2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,3-benzodiazole
C226-4665 Screening compound: 2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4665
2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,3-benzodiazole

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

C226-4665

Molecular Formula

C23H15F3N4S (C23 H15 F3 N4 S)

Compound Name

2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-13-benzodiazole

SMILES

FC(c1cc(-c2cccs2)nc(-n2c(cccc3)c3nc2Cc2ccccc2)n1)(F)F

InChI

InChI=1S/C23H15F3N4S/c24-23(25,26)20-14-17(19-11-6-12-31-19)28-22(29-20)30-18-10-5-4-9-16(18)27-21(30)13-15-7-2-1-3-8-15/h1-12,14H,13H2

InChI Key

UKQORTAGOLYKCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.553

Distribution Coefficient, logD

6.005

Water Solubility, LogSw

-6.44

Polar Surface Area

29.860

Acid Dissociation Constant (pKa)

31.16

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C226-4665 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 C226-4665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4665?
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What is the minimum amount of C226-4665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4665
  • 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 C226-4665 available by request