C683-0333 Screening compound: 2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

C683-0333 Screening compound: 2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
C683-0333 Screening compound: 2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0333
2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

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

C683-0333

Molecular Formula

C24H24ClN3O3S (C24 H24 ClN3 O3 S)

Compound Name

2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nc(-c(cc2)ccc2OC)nc2c1Cc(cc(cc1)Cl)c1O2)=O

InChI

InChI=1S/C24H24ClN3O3S/c1-4-28(5-2)21(29)14-32-24-19-13-16-12-17(25)8-11-20(16)31-23(19)26-22(27-24)15-6-9-18(30-3)10-7-15/h6-12H,4-5,13-14H2,1-3H3

InChI Key

VQEGCSYONUEVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.336

Distribution Coefficient, logD

6.328

Water Solubility, LogSw

-6.26

Polar Surface Area

49.351

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C683-0333 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C683-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0333?
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What is the minimum amount of C683-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0333
  • 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 C683-0333 available by request