3969-1014 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

3969-1014 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid
3969-1014 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3969-1014
2-(2,6-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)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

3969-1014

Molecular Formula

C28H26Cl2N2O9S (C28 H26 Cl2 N2 O9 S)

Compound Name

2-(2,6-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(26-dichloro-4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(345-trimethoxyphenyl)-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

SMILES

CCOC(C(C(c(cc1OC)cc(OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1Cl)cc(Cl)c1OCC(O)=O)=O

InChI

InChI=1S/C28H26Cl2N2O9S/c1-6-40-27(36)22-13(2)31-28-32(23(22)15-10-18(37-3)25(39-5)19(11-15)38-4)26(35)20(42-28)9-14-7-16(29)24(17(30)8-14)41-12-21(33)34/h7-11,23H,6,12H2,1-5H3,(H,33,34)/t23-/m0/s1

InChI Key

RAZOAMCZKZXOAB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02374359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

0.965

Water Solubility, LogSw

-5.33

Polar Surface Area

104.782

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3969-1014 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3969-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-1014?
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What is the minimum amount of 3969-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-1014
  • 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 3969-1014 available by request