8008-5546 Screening compound: (E)-N'-{6-cyano-5-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl}-N,N-dimethylmethanimidamide

8008-5546 Screening compound: (E)-N'-{6-cyano-5-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl}-N,N-dimethylmethanimidamide
8008-5546 Screening compound: (E)-N'-{6-cyano-5-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl}-N,N-dimethylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5546
(E)-N'-{6-cyano-5-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl}-N,N-dimethylmethanimidamide

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

8008-5546

Molecular Formula

C17H15N5S (C17 H15 N5 S)

Compound Name

(E)-N'-{6-cyano-5-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl}-N,N-dimethylmethanimidamide

IUPAC name

(E)-N'-{6-cyano-5-methyl-2-phenylthieno[23-d]pyrimidin-4-yl}-NN-dimethylmethanimidamide

SMILES

Cc1c(C#N)sc2nc(-c3ccccc3)nc(/N=C/N(C)C)c12

InChI

InChI=1S/C17H15N5S/c1-11-13(9-18)23-17-14(11)16(19-10-22(2)3)20-15(21-17)12-7-5-4-6-8-12/h4-8,10H,1-3H3

InChI Key

YKXZQSLMBXHEQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-4.26

Polar Surface Area

48.584

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8008-5546 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-5546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5546?
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What is the minimum amount of 8008-5546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5546
  • 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 8008-5546 available by request