8012-9742 Screening compound: 4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

8012-9742 Screening compound: 4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
8012-9742 Screening compound: 4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9742
4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

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

8012-9742

Molecular Formula

C21H18F3N7OS (C21 H18 F3 N7 OS)

Compound Name

4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[23-b]pyridin-2-yl]-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Nc1c(-c2nc(N3CCOCC3)nc(N)n2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12

InChI

InChI=1S/C21H18F3N7OS/c22-21(23,24)12-10-13(11-4-2-1-3-5-11)27-18-14(12)15(25)16(33-18)17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,25H2,(H2,26,28,29,30)

InChI Key

PQXBNZLPMLLUBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.060

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-5.13

Polar Surface Area

89.422

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8012-9742 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9742?
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What is the minimum amount of 8012-9742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9742
  • 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 8012-9742 available by request