8016-8131 Screening compound: 6-amino-3-methyl-4-[4-(morpholinomethyl)-2-thienyl]-2,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8016-8131 Screening compound: 6-amino-3-methyl-4-[4-(morpholinomethyl)-2-thienyl]-2,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8016-8131 Screening compound: 6-amino-3-methyl-4-[4-(morpholinomethyl)-2-thienyl]-2,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8131
6-amino-3-methyl-4-[4-(morpholinomethyl)-2-thienyl]-2,4-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

8016-8131

Molecular Formula

C17H19N5O2S (C17 H19 N5 O2 S)

Compound Name

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

IUPAC name

6-amino-3-methyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-2H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1c(C(c2cc(CN3CCOCC3)cs2)C(C#N)=C(N)O2)c2n[nH]1

InChI

InChI=1S/C17H19N5O2S/c1-10-14-15(12(7-18)16(19)24-17(14)21-20-10)13-6-11(9-25-13)8-22-2-4-23-5-3-22/h6,9,15H,2-5,8,19H2,1H3,(H,20,21)/t15-/m0/s1

InChI Key

MBYYXIAWWWUILQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05859408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.223

Distribution Coefficient, logD

0.375

Water Solubility, LogSw

-2.03

Polar Surface Area

83.211

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8016-8131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8131?
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What is the minimum amount of 8016-8131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8131
  • 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 8016-8131 available by request