C683-0692 Screening compound: 2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid

C683-0692 Screening compound: 2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
C683-0692 Screening compound: 2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0692
2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid

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

C683-0692

Molecular Formula

C20H15ClN2O3S (C20 H15 ClN2 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid

IUPAC name

2-{[2-(4-chlorophenyl)-9-methyl-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}acetic acid

SMILES

Cc1cccc2c1Oc1nc(-c(cc3)ccc3Cl)nc(SCC(O)=O)c1C2

InChI

InChI=1S/C20H15ClN2O3S/c1-11-3-2-4-13-9-15-19(26-17(11)13)22-18(12-5-7-14(21)8-6-12)23-20(15)27-10-16(24)25/h2-8H,9-10H2,1H3,(H,24,25)

InChI Key

APEWGTVSYLKDTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-5.84

Polar Surface Area

54.470

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C683-0692 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 C683-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0692?
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What is the minimum amount of C683-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0692
  • 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 C683-0692 available by request