8010-1823 Screening compound: (2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

8010-1823 Screening compound: (2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
8010-1823 Screening compound: (2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1823
(2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

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

8010-1823

Molecular Formula

C28H23ClN4O5S (C28 H23 ClN4 O5 S)

Compound Name

(2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

IUPAC name

(2E)-6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-2H3H5H-[13]thiazolo[32-a]pyrimidin-3-one

SMILES

CC(C(C(c(cc1)ccc1N(C)C)N1C2=O)=C(C)N=C1S/C2=C/c1ccc(-c(cc2)cc([N+]([O-])=O)c2Cl)o1)=O

InChI

InChI=1S/C28H23ClN4O5S/c1-15-25(16(2)34)26(17-5-8-19(9-6-17)31(3)4)32-27(35)24(39-28(32)30-15)14-20-10-12-23(38-20)18-7-11-21(29)22(13-18)33(36)37/h5-14,26H,1-4H3/t26-/m0/s1

InChI Key

CITALNPRCVNXIR-SANMLTNESA-N

MDL Number (MFCD)

MFCD01872606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.03

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-6.09

Polar Surface Area

82.276

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

8010-1823 in Drug Discovery

Included in Screening Libraries

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 8010-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1823?
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What is the minimum amount of 8010-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1823
  • 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 8010-1823 available by request