C683-0594 Screening compound: 2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid

C683-0594 Screening compound: 2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
C683-0594 Screening compound: 2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0594
2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic 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

C683-0594

Molecular Formula

C20H15ClN2O3S (C20 H15 ClN2 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid

IUPAC name

2-{[2-(4-chlorophenyl)-7-methyl-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}acetic acid

SMILES

Cc(cc1)cc2c1Oc1nc(-c(cc3)ccc3Cl)nc(SCC(O)=O)c1C2

InChI

InChI=1S/C20H15ClN2O3S/c1-11-2-7-16-13(8-11)9-15-19(26-16)22-18(12-3-5-14(21)6-4-12)23-20(15)27-10-17(24)25/h2-8H,9-10H2,1H3,(H,24,25)

InChI Key

IGBZESNTQTYFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-5.69

Polar Surface Area

54.786

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C683-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0594?
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What is the minimum amount of C683-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0594
  • 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 C683-0594 available by request