3601-0936 Screening compound: 2-(5-bromo-2-ethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetic acid

3601-0936 Screening compound: 2-(5-bromo-2-ethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetic acid
3601-0936 Screening compound: 2-(5-bromo-2-ethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0936
2-(5-bromo-2-ethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]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

3601-0936

Molecular Formula

C20H15BrN2O5S (C20 H15 BrN2 O5 S)

Compound Name

2-(5-bromo-2-ethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetic acid

IUPAC name

2-(5-bromo-2-ethoxy-4-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}phenoxy)acetic acid

SMILES

CCOc(c(OCC(O)=O)c1)cc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1Br

InChI

InChI=1S/C20H15BrN2O5S/c1-2-27-15-7-11(12(21)9-16(15)28-10-18(24)25)8-17-19(26)23-14-6-4-3-5-13(14)22-20(23)29-17/h3-9H,2,10H2,1H3,(H,24,25)

InChI Key

TXSFAPHKQWPAFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

-1.176

Water Solubility, LogSw

-3.24

Polar Surface Area

67.633

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3601-0936 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 3601-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0936?
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What is the minimum amount of 3601-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0936
  • 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 3601-0936 available by request