C200-2976 Screening compound: 2-[(2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetic acid

C200-2976 Screening compound: 2-[(2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetic acid
C200-2976 Screening compound: 2-[(2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2976
2-[(2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]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

C200-2976

Molecular Formula

C22H19FN4O5S (C22 H19 FN4 O5 S)

Compound Name

2-[(2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetic acid

IUPAC name

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

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCC(NCC(O)=O)=O)nc(-c(cccc2)c2F)n1

InChI

InChI=1S/C22H19FN4O5S/c1-11-19-14(12(9-28)7-24-11)6-15-21(32-19)26-20(13-4-2-3-5-16(13)23)27-22(15)33-10-17(29)25-8-18(30)31/h2-5,7,28H,6,8-10H2,1H3,(H,25,29)(H,30,31)

InChI Key

PZZPPZQENTZQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

-2.741

Water Solubility, LogSw

-2.14

Polar Surface Area

105.771

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C200-2976 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2976?
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What is the minimum amount of C200-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2976
  • 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 C200-2976 available by request