C683-0580 Screening compound: N-(3,4-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

C683-0580 Screening compound: N-(3,4-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide
C683-0580 Screening compound: N-(3,4-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0580
N-(3,4-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

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

C683-0580

Molecular Formula

C28H25N3O2S2 (C28 H25 N3 O2 S2)

Compound Name

N-(3,4-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(34-dimethylphenyl)-2-({2-[4-(methylsulfanyl)phenyl]-5H-chromeno[23-d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1nc(-c(cc2)ccc2SC)nc2c1Cc(cccc1)c1O2)=O

InChI

InChI=1S/C28H25N3O2S2/c1-17-8-11-21(14-18(17)2)29-25(32)16-35-28-23-15-20-6-4-5-7-24(20)33-27(23)30-26(31-28)19-9-12-22(34-3)13-10-19/h4-14H,15-16H2,1-3H3,(H,29,32)

InChI Key

OSZZGOHRADZJBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.378

Distribution Coefficient, logD

8.375

Water Solubility, LogSw

-5.66

Polar Surface Area

49.280

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C683-0580 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 C683-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0580?
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What is the minimum amount of C683-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0580
  • 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 C683-0580 available by request