G281-1679 Screening compound: ethyl 2-({[4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G281-1679 Screening compound: ethyl 2-({[4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G281-1679 Screening compound: ethyl 2-({[4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1679
ethyl 2-({[4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

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

G281-1679

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

ethyl 2-({[4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 2-({714-dimethyl-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl}amino)benzoate

SMILES

CCOC(c(cccc1)c1NC(N(C1)C(C)c2cccn2-c2c1c(CCN(C)C1)c1s2)=O)=O

InChI

InChI=1S/C25H28N4O3S/c1-4-32-24(30)18-8-5-6-9-20(18)26-25(31)29-14-19-17-11-13-27(3)15-22(17)33-23(19)28-12-7-10-21(28)16(29)2/h5-10,12,16H,4,11,13-15H2,1-3H3,(H,26,31)/t16-/m1/s1

InChI Key

OXXRRPVFPQXISJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27212587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.694

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-4.35

Polar Surface Area

50.272

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

G281-1679 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1679?
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What is the minimum amount of G281-1679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1679
  • 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 G281-1679 available by request