8017-2505 Screening compound: 5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-(3-pyridyl)-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide

8017-2505 Screening compound: 5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-(3-pyridyl)-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide
8017-2505 Screening compound: 5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-(3-pyridyl)-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2505
5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-(3-pyridyl)-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-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

8017-2505

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-(3-pyridyl)-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide

IUPAC name

5-amino-4-(4-methoxyphenyl)-11-dioxo-7-(pyridin-3-yl)-2H3H4H7H-1lambda6-thieno[32-b]pyridine-6-carbonitrile

SMILES

COc(cc1)ccc1N(C(CC1)=C(C2c3cnccc3)S1(=O)=O)C(N)=C2C#N

InChI

InChI=1S/C20H18N4O3S/c1-27-15-6-4-14(5-7-15)24-17-8-10-28(25,26)19(17)18(16(11-21)20(24)22)13-3-2-9-23-12-13/h2-7,9,12,18H,8,10,22H2,1H3/t18-/m0/s1

InChI Key

INQQESPHMWKLJU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06015304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.280

Distribution Coefficient, logD

1.280

Water Solubility, LogSw

-1.54

Polar Surface Area

85.082

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-2505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2505?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2505
  • 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 8017-2505 available by request