G118-1383 Screening compound: N~5~-(1-adamantyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1383 Screening compound: N~5~-(1-adamantyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1383 Screening compound: N~5~-(1-adamantyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1383
N~5~-(1-adamantyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

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

G118-1383

Molecular Formula

C29H29F2N3O (C29 H29 F2 N3 O)

Compound Name

N~5~-(1-adamantyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(adamantan-1-yl)-7-(35-difluorophenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)N(Cc(cccc1)c1-n1c2ccc1)C2c1cc(F)cc(F)c1

InChI

InChI=1S/C29H29F2N3O/c30-23-11-22(12-24(31)13-23)27-26-6-3-7-33(26)25-5-2-1-4-21(25)17-34(27)28(35)32-29-14-18-8-19(15-29)10-20(9-18)16-29/h1-7,11-13,18-20,27H,8-10,14-17H2,(H,32,35)/t18?,19?,20?,27-,29?/m1/s1

InChI Key

NSUSMCFDJZFDLH-YYQAZVDKSA-N

MDL Number (MFCD)

MFCD14981491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.992

Distribution Coefficient, logD

6.992

Water Solubility, LogSw

-6.13

Polar Surface Area

27.589

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

G118-1383 in Drug Discovery

Included in Screening Libraries

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 G118-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1383?
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What is the minimum amount of G118-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1383
  • 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 G118-1383 available by request