C683-0154 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine

C683-0154 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine
C683-0154 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0154
4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine

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

C683-0154

Molecular Formula

C24H17ClN2OS (C24 H17 ClN2 OS)

Compound Name

4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine

IUPAC name

4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[23-d]pyrimidine

SMILES

Clc(cc1)cc(C2)c1Oc1c2c(SCc2ccccc2)nc(-c2ccccc2)n1

InChI

InChI=1S/C24H17ClN2OS/c25-19-11-12-21-18(13-19)14-20-23(28-21)26-22(17-9-5-2-6-10-17)27-24(20)29-15-16-7-3-1-4-8-16/h1-13H,14-15H2

InChI Key

MKDNBEWUTHFUNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.429

Distribution Coefficient, logD

7.422

Water Solubility, LogSw

-6.77

Polar Surface Area

26.131

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C683-0154 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 C683-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0154?
Check Price and Availability of C683-0154, 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 C683-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0154
  • 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 C683-0154 available by request