C683-0132 Screening compound: methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

C683-0132 Screening compound: methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate
C683-0132 Screening compound: methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0132
methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

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

C683-0132

Molecular Formula

C22H20N2O4S (C22 H20 N2 O4 S)

Compound Name

methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

IUPAC name

methyl 2-({9-ethoxy-2-phenyl-5H-chromeno[23-d]pyrimidin-4-yl}sulfanyl)acetate

SMILES

CCOc1cccc(C2)c1Oc1c2c(SCC(OC)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C22H20N2O4S/c1-3-27-17-11-7-10-15-12-16-21(28-19(15)17)23-20(14-8-5-4-6-9-14)24-22(16)29-13-18(25)26-2/h4-11H,3,12-13H2,1-2H3

InChI Key

SREWVSJDHBWCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.524

Water Solubility, LogSw

-5.54

Polar Surface Area

53.876

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C683-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0132?
Check Price and Availability of C683-0132, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C683-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0132
  • 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 C683-0132 available by request