G281-0239 Screening compound: methyl 3-({[4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

G281-0239 Screening compound: methyl 3-({[4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate
G281-0239 Screening compound: methyl 3-({[4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-0239
methyl 3-({[4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

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

G281-0239

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

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

IUPAC name

methyl 3-{[7-(4-ethoxyphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}propanoate

SMILES

CCOc1ccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(NCCC(OC)=O)=O)cc1

InChI

InChI=1S/C27H31N3O4S/c1-3-34-19-12-10-18(11-13-19)25-22-8-6-16-29(22)26-21(20-7-4-5-9-23(20)35-26)17-30(25)27(32)28-15-14-24(31)33-2/h6,8,10-13,16,25H,3-5,7,9,14-15,17H2,1-2H3,(H,28,32)/t25-/m0/s1

InChI Key

IKSOELJNJIALSH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27212476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.24

Polar Surface Area

56.081

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

G281-0239 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 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
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0239?
Check Price and Availability of G281-0239, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G281-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0239
  • 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 G281-0239 available by request