3277-0429 Screening compound: 2-(2-bromo-4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-6-methoxyphenoxy)acetic acid

3277-0429 Screening compound: 2-(2-bromo-4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-6-methoxyphenoxy)acetic acid
3277-0429 Screening compound: 2-(2-bromo-4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-6-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3277-0429
2-(2-bromo-4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-6-methoxyphenoxy)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

3277-0429

Molecular Formula

C21H17BrN2O5S (C21 H17 BrN2 O5 S)

Compound Name

2-(2-bromo-4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-6-methoxyphenoxy)acetic acid

IUPAC name

2-(2-bromo-4-{[(4E)-1011-dimethyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid

SMILES

Cc(c(C)c1)cc(n2C3=O)c1nc2S/C3=C/c(cc1OC)cc(Br)c1OCC(O)=O

InChI

InChI=1S/C21H17BrN2O5S/c1-10-4-14-15(5-11(10)2)24-20(27)17(30-21(24)23-14)8-12-6-13(22)19(16(7-12)28-3)29-9-18(25)26/h4-8H,9H2,1-3H3,(H,25,26)

InChI Key

BWKAGGOSQNNJRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-4.42

Polar Surface Area

68.139

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3277-0429 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 3277-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3277-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3277-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3277-0429
  • 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 3277-0429 available by request