C683-0179 Screening compound: 7-bromo-4-(methylsulfanyl)-2-phenyl-5H-chromeno[2,3-d]pyrimidine

C683-0179 Screening compound: 7-bromo-4-(methylsulfanyl)-2-phenyl-5H-chromeno[2,3-d]pyrimidine
C683-0179 Screening compound: 7-bromo-4-(methylsulfanyl)-2-phenyl-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0179
7-bromo-4-(methylsulfanyl)-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

C683-0179

Molecular Formula

C18H13BrN2OS (C18 H13 BrN2 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1nc(-c2ccccc2)nc2c1Cc(cc(cc1)Br)c1O2

InChI

InChI=1S/C18H13BrN2OS/c1-23-18-14-10-12-9-13(19)7-8-15(12)22-17(14)20-16(21-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3

InChI Key

QXLGECUFRGKTFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.386

Distribution Coefficient, logD

6.379

Water Solubility, LogSw

-5.80

Polar Surface Area

26.402

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C683-0179 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C683-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0179?
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What is the minimum amount of C683-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0179
  • 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 C683-0179 available by request