8010-5754 Screening compound: 2-[2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-1H-indol-1(2H)-yl]acetic acid

8010-5754 Screening compound: 2-[2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-1H-indol-1(2H)-yl]acetic acid
8010-5754 Screening compound: 2-[2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-1H-indol-1(2H)-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5754
2-[2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-1H-indol-1(2H)-yl]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

8010-5754

Molecular Formula

C19H11N3O4S (C19 H11 N3 O4 S)

Compound Name

2-[2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-1H-indol-1(2H)-yl]acetic acid

IUPAC name

2-{2-oxo-3-[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]-23-dihydro-1H-indol-1-yl}acetic acid

SMILES

OC(CN(c(cccc1)c1/C1=C2/Sc3nc(cccc4)c4n3C2=O)C1=O)=O

InChI

InChI=1S/C19H11N3O4S/c23-14(24)9-21-12-7-3-1-5-10(12)15(17(21)25)16-18(26)22-13-8-4-2-6-11(13)20-19(22)27-16/h1-8H,9H2,(H,23,24)

InChI Key

VNWIVEYWSNICPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.271

Distribution Coefficient, logD

-2.755

Water Solubility, LogSw

-2.32

Polar Surface Area

68.577

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8010-5754 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-5754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5754?
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What is the minimum amount of 8010-5754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5754
  • 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 8010-5754 available by request