C683-0031 Screening compound: 2-({2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C683-0031 Screening compound: 2-({2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
C683-0031 Screening compound: 2-({2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0031
2-({2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

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

C683-0031

Molecular Formula

C26H18F3N3O2S (C26 H18 F3 N3 O2 S)

Compound Name

2-({2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({2-phenyl-5H-chromeno[23-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nc(-c2ccccc2)nc2c1Cc(cccc1)c1O2)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C26H18F3N3O2S/c27-26(28,29)18-10-6-11-19(14-18)30-22(33)15-35-25-20-13-17-9-4-5-12-21(17)34-24(20)31-23(32-25)16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,30,33)

InChI Key

GXQIZLIPIFAAQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.610

Distribution Coefficient, logD

7.606

Water Solubility, LogSw

-6.28

Polar Surface Area

49.280

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C683-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0031?
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What is the minimum amount of C683-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0031
  • 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 C683-0031 available by request