G281-1484 Screening compound: methyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

G281-1484 Screening compound: methyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate
G281-1484 Screening compound: methyl 3-({[4-isopropyl-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 G281-1484
methyl 3-({[4-isopropyl-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

G281-1484

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

methyl 3-({[4-isopropyl-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-(propan-2-yl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}propanoate

SMILES

CC(C)C(c1cccn1-c1c(C2)c(CCCC3)c3s1)N2C(NCCC(OC)=O)=O

InChI

InChI=1S/C22H29N3O3S/c1-14(2)20-17-8-6-12-24(17)21-16(15-7-4-5-9-18(15)29-21)13-25(20)22(27)23-11-10-19(26)28-3/h6,8,12,14,20H,4-5,7,9-11,13H2,1-3H3,(H,23,27)/t20-/m1/s1

InChI Key

QHNNJGHRMNZHPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27212528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

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

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.34

Polar Surface Area

49.229

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

G281-1484 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others

References: we are preparing a list of scientific research reports with G281-1484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1484?
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What is the minimum amount of G281-1484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1484
  • 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 G281-1484 available by request