G281-1450 Screening compound: ethyl 2-[4-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate

G281-1450 Screening compound: ethyl 2-[4-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate
G281-1450 Screening compound: ethyl 2-[4-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1450
ethyl 2-[4-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]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

G281-1450

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

ethyl 2-[4-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate

IUPAC name

ethyl 2-(4-{[7-(propan-2-yl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(C1)C(C(C)C)c2cccn2-c2c1c(CCCC1)c1s2)=O)=O

InChI

InChI=1S/C28H33N3O3S/c1-4-34-25(32)16-19-11-13-20(14-12-19)29-28(33)31-17-22-21-8-5-6-10-24(21)35-27(22)30-15-7-9-23(30)26(31)18(2)3/h7,9,11-15,18,26H,4-6,8,10,16-17H2,1-3H3,(H,29,33)/t26-/m1/s1

InChI Key

PSMDESSDJXIXLU-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27212525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.398

Distribution Coefficient, logD

6.398

Water Solubility, LogSw

-5.49

Polar Surface Area

47.374

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G281-1450 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1450?
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What is the minimum amount of G281-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1450
  • 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 G281-1450 available by request