C683-0809 Screening compound: 4-[2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid

C683-0809 Screening compound: 4-[2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid
C683-0809 Screening compound: 4-[2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0809
4-[2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic 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

C683-0809

Molecular Formula

C27H21N3O4S (C27 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C2)c1Oc1c2c(SCC(Nc(cc2)ccc2C(O)=O)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C27H21N3O4S/c1-16-6-5-9-19-14-21-25(34-23(16)19)29-24(17-7-3-2-4-8-17)30-26(21)35-15-22(31)28-20-12-10-18(11-13-20)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)

InChI Key

VFWYZQOYZNJFGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.867

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-5.77

Polar Surface Area

77.372

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C683-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0809?
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What is the minimum amount of C683-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0809
  • 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 C683-0809 available by request