C683-0116 Screening compound: 3-[2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid

C683-0116 Screening compound: 3-[2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid
C683-0116 Screening compound: 3-[2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0116
3-[2-({9-methoxy-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

C683-0116

Molecular Formula

C27H21N3O5S (C27 H21 N3 O5 S)

Compound Name

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

IUPAC name

3-[2-({9-methoxy-2-phenyl-5H-chromeno[23-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoic acid

SMILES

COc1cccc(C2)c1Oc1c2c(SCC(Nc2cc(C(O)=O)ccc2)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C27H21N3O5S/c1-34-21-12-6-9-17-14-20-25(35-23(17)21)29-24(16-7-3-2-4-8-16)30-26(20)36-15-22(31)28-19-11-5-10-18(13-19)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)

InChI Key

KEFQZMMINRJCSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-5.68

Polar Surface Area

85.003

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C683-0116 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C683-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0116?
Check Price and Availability of C683-0116, 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 C683-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0116
  • 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 C683-0116 available by request