C611-0588 Screening compound: 3-amino-N-(3-chlorophenyl)-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

C611-0588 Screening compound: 3-amino-N-(3-chlorophenyl)-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide
C611-0588 Screening compound: 3-amino-N-(3-chlorophenyl)-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C611-0588
3-amino-N-(3-chlorophenyl)-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

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

C611-0588

Molecular Formula

C18H17ClN4OS (C18 H17 ClN4 OS)

Compound Name

3-amino-N-(3-chlorophenyl)-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

IUPAC name

3-amino-N-(3-chlorophenyl)-6-methyl-5H6H7H8H-thieno[23-b]16-naphthyridine-2-carboxamide

SMILES

CN(CCc1n2)Cc1cc1c2sc(C(Nc2cccc(Cl)c2)=O)c1N

InChI

InChI=1S/C18H17ClN4OS/c1-23-6-5-14-10(9-23)7-13-15(20)16(25-18(13)22-14)17(24)21-12-4-2-3-11(19)8-12/h2-4,7-8H,5-6,9,20H2,1H3,(H,21,24)

InChI Key

NPLKNVANLHPVBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08070490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.89

Polar Surface Area

57.268

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C611-0588 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C611-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C611-0588?
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What is the minimum amount of C611-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C611-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C611-0588
  • 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 C611-0588 available by request