C683-0223 Screening compound: 4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine

C683-0223 Screening compound: 4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine
C683-0223 Screening compound: 4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0223
4-(benzylsulfanyl)-7-bromo-9-methoxy-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

C683-0223

Molecular Formula

C25H19BrN2O2S (C25 H19 BrN2 O2 S)

Compound Name

4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine

IUPAC name

4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[23-d]pyrimidine

SMILES

COc(cc(cc1C2)Br)c1Oc1c2c(SCc2ccccc2)nc(-c2ccccc2)n1

InChI

InChI=1S/C25H19BrN2O2S/c1-29-21-14-19(26)12-18-13-20-24(30-22(18)21)27-23(17-10-6-3-7-11-17)28-25(20)31-15-16-8-4-2-5-9-16/h2-12,14H,13,15H2,1H3

InChI Key

YQHMQFZOPNOPNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.515

Distribution Coefficient, logD

7.507

Water Solubility, LogSw

-5.87

Polar Surface Area

33.445

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C683-0223 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 C683-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0223?
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What is the minimum amount of C683-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0223
  • 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 C683-0223 available by request