G281-0405 Screening compound: methyl 3-({[4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

G281-0405 Screening compound: methyl 3-({[4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate
G281-0405 Screening compound: methyl 3-({[4-(4-isopropylphenyl)-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 G281-0405
methyl 3-({[4-(4-isopropylphenyl)-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

G281-0405

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

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

SMILES

CC(C)c1ccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(NCCC(OC)=O)=O)cc1

InChI

InChI=1S/C28H33N3O3S/c1-18(2)19-10-12-20(13-11-19)26-23-8-6-16-30(23)27-22(21-7-4-5-9-24(21)35-27)17-31(26)28(33)29-15-14-25(32)34-3/h6,8,10-13,16,18,26H,4-5,7,9,14-15,17H2,1-3H3,(H,29,33)/t26-/m0/s1

InChI Key

KVXZQXSCAGOQRL-SANMLTNESA-N

MDL Number (MFCD)

MFCD14993833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.623

Distribution Coefficient, logD

6.623

Water Solubility, LogSw

-5.60

Polar Surface Area

48.957

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G281-0405 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 G281-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0405?
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What is the minimum amount of G281-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0405
  • 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 G281-0405 available by request