6623-1374 Screening compound: ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate

6623-1374 Screening compound: ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate
6623-1374 Screening compound: ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1374
ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate

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

6623-1374

Molecular Formula

C20H21N7O3S2 (C20 H21 N7 O3 S2)

Compound Name

ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate

IUPAC name

ethyl 2-[5-(2-{[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamido)-134-thiadiazol-2-yl]acetate

SMILES

CCOC(Cc1nnc(NC(CSc2nnc(c(cccc3)c3n3C(C)C)c3n2)=O)s1)=O

InChI

InChI=1S/C20H21N7O3S2/c1-4-30-16(29)9-15-23-26-20(32-15)21-14(28)10-31-19-22-18-17(24-25-19)12-7-5-6-8-13(12)27(18)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,21,26,28)

InChI Key

OGJPBZDWAHFEKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.23

Polar Surface Area

101.402

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6623-1374 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6623-1374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1374?
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What is the minimum amount of 6623-1374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1374
  • 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 6623-1374 available by request