C200-2974 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

C200-2974 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
C200-2974 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2974
[4-[(3-fluorobenzyl)sulfanyl]-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

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

C200-2974

Molecular Formula

C26H22FN3O3S (C26 H22 FN3 O3 S)

Compound Name

[4-[(3-fluorobenzyl)sulfanyl]-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

IUPAC name

(7-{[(3-fluorophenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(14)3(8)461012-hexaen-11-yl)methanol

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCc2cc(F)ccc2)nc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C26H22FN3O3S/c1-15-23-21(18(13-31)12-28-15)11-22-25(33-23)29-24(17-6-4-8-20(10-17)32-2)30-26(22)34-14-16-5-3-7-19(27)9-16/h3-10,12,31H,11,13-14H2,1-2H3

InChI Key

PQUOIJHEQLSLMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.709

Water Solubility, LogSw

-5.55

Polar Surface Area

60.188

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C200-2974 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-2974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2974?
Check Price and Availability of C200-2974, 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 C200-2974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2974
  • 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 C200-2974 available by request