G118-2094 Screening compound: methyl 3-({[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)propanoate

G118-2094 Screening compound: methyl 3-({[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)propanoate
G118-2094 Screening compound: methyl 3-({[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-2094
methyl 3-({[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-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

G118-2094

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

methyl 3-({[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)propanoate

IUPAC name

methyl 3-{[7-(2-methylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carbonyl]amino}propanoate

SMILES

Cc1c(C(c2cccn2-c2c(C3)cccc2)N3C(NCCC(OC)=O)=O)cccc1

InChI

InChI=1S/C24H25N3O3/c1-17-8-3-5-10-19(17)23-21-12-7-15-26(21)20-11-6-4-9-18(20)16-27(23)24(29)25-14-13-22(28)30-2/h3-12,15,23H,13-14,16H2,1-2H3,(H,25,29)/t23-/m1/s1

InChI Key

CZZPFPCJSCIHPQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14981772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

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

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.17

Polar Surface Area

48.585

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G118-2094 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 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 G118-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-2094?
Check Price and Availability of G118-2094, 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 G118-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-2094
  • 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 G118-2094 available by request