D718-1598 Screening compound: methyl 6-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

D718-1598 Screening compound: methyl 6-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
D718-1598 Screening compound: methyl 6-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1598
methyl 6-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

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

D718-1598

Molecular Formula

C18H12ClN3O3S (C18 H12 ClN3 O3 S)

Compound Name

methyl 6-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

IUPAC name

methyl 6-(6-chloro-13-benzothiazol-2-yl)-2-methyl-5-oxo-56-dihydro-16-naphthyridine-3-carboxylate

SMILES

Cc(c(C(OC)=O)c1)nc(C=CN2c3nc(ccc(Cl)c4)c4s3)c1C2=O

InChI

InChI=1S/C18H12ClN3O3S/c1-9-11(17(24)25-2)8-12-13(20-9)5-6-22(16(12)23)18-21-14-4-3-10(19)7-15(14)26-18/h3-8H,1-2H3

InChI Key

UTUHFBSNMFRXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11082534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.67

Polar Surface Area

56.638

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D718-1598 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1598?
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What is the minimum amount of D718-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1598
  • 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 D718-1598 available by request