G544-1518 Screening compound: methyl 2-({[3-methyl-6-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G544-1518 Screening compound: methyl 2-({[3-methyl-6-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G544-1518 Screening compound: methyl 2-({[3-methyl-6-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-1518
methyl 2-({[3-methyl-6-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-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

G544-1518

Molecular Formula

C32H29N5O3 (C32 H29 N5 O3)

Compound Name

methyl 2-({[3-methyl-6-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

IUPAC name

methyl 2-{[5-methyl-9-(3-methylphenyl)-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carbonyl]amino}benzoate

SMILES

Cc(c(CN(C1c2cc(C)ccc2)C(Nc(cccc2)c2C(OC)=O)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C32H29N5O3/c1-21-11-9-12-23(19-21)29-28-17-10-18-35(28)30-26(22(2)34-37(30)24-13-5-4-6-14-24)20-36(29)32(39)33-27-16-8-7-15-25(27)31(38)40-3/h4-19,29H,20H2,1-3H3,(H,33,39)/t29-/m1/s1

InChI Key

BEQSRFSCQPZWJM-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD27143633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.701

Water Solubility, LogSw

-5.73

Polar Surface Area

61.471

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

G544-1518 in Drug Discovery

Included in Screening Libraries

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

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 G544-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-1518?
Check Price and Availability of G544-1518, 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 G544-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-1518
  • 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 G544-1518 available by request