G281-0109 Screening compound: ethyl 3-({[4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G281-0109 Screening compound: ethyl 3-({[4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G281-0109 Screening compound: ethyl 3-({[4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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 G281-0109
ethyl 3-({[4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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

G281-0109

Molecular Formula

C30H28FN3O3S (C30 H28 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cccc(NC(N(Cc2c(-n3c4ccc3)sc3c2CCCC3)C4c(cc2)ccc2F)=O)c1)=O

InChI

InChI=1S/C30H28FN3O3S/c1-2-37-29(35)20-7-5-8-22(17-20)32-30(36)34-18-24-23-9-3-4-11-26(23)38-28(24)33-16-6-10-25(33)27(34)19-12-14-21(31)15-13-19/h5-8,10,12-17,27H,2-4,9,11,18H2,1H3,(H,32,36)/t27-/m0/s1

InChI Key

WMYZRRYPEVDIBS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14993747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.675

Distribution Coefficient, logD

7.675

Water Solubility, LogSw

-5.68

Polar Surface Area

47.697

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

G281-0109 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0109?
Check Price and Availability of G281-0109, 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 G281-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0109
  • 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 G281-0109 available by request