8001-1148 Screening compound: 6-amino-3-methyl-4-(5-methyl-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8001-1148 Screening compound: 6-amino-3-methyl-4-(5-methyl-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8001-1148 Screening compound: 6-amino-3-methyl-4-(5-methyl-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1148
6-amino-3-methyl-4-(5-methyl-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

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

8001-1148

Molecular Formula

C13H12N4OS (C13 H12 N4 OS)

Compound Name

6-amino-3-methyl-4-(5-methyl-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-3-methyl-4-(5-methylthiophen-2-yl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1ccc(C2C(C#N)=C(N)Oc3c2c(C)n[nH]3)s1

InChI

InChI=1S/C13H12N4OS/c1-6-3-4-9(19-6)11-8(5-14)12(15)18-13-10(11)7(2)16-17-13/h3-4,11H,15H2,1-2H3,(H,16,17)/t11-/m0/s1

InChI Key

ZLILWIFNMNIQGM-NSHDSACASA-N

MDL Number (MFCD)

MFCD00472847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.25

Polar Surface Area

71.569

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

8001-1148 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1148?
Check Price and Availability of 8001-1148, 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 8001-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1148
  • 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 8001-1148 available by request