C683-0597 Screening compound: 2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)-1,3-benzothiazole

C683-0597 Screening compound: 2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)-1,3-benzothiazole
C683-0597 Screening compound: 2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0597
2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)-1,3-benzothiazole

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

C683-0597

Molecular Formula

C26H18ClN3OS2 (C26 H18 ClN3 OS2)

Compound Name

2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)-1,3-benzothiazole

IUPAC name

2-({[2-(4-chlorophenyl)-7-methyl-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}methyl)-13-benzothiazole

SMILES

Cc(cc1)cc2c1Oc1nc(-c(cc3)ccc3Cl)nc(SCc3nc(cccc4)c4s3)c1C2

InChI

InChI=1S/C26H18ClN3OS2/c1-15-6-11-21-17(12-15)13-19-25(31-21)29-24(16-7-9-18(27)10-8-16)30-26(19)32-14-23-28-20-4-2-3-5-22(20)33-23/h2-12H,13-14H2,1H3

InChI Key

JRNRNTMEUSKXEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.758

Distribution Coefficient, logD

8.755

Water Solubility, LogSw

-6.58

Polar Surface Area

36.346

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C683-0597 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C683-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0597?
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What is the minimum amount of C683-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0597
  • 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 C683-0597 available by request