8017-2885 Screening compound: 7-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

8017-2885 Screening compound: 7-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
8017-2885 Screening compound: 7-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2885
7-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

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

8017-2885

Molecular Formula

C12H11BrN2O2 (C12 H11 BrN2 O2)

Compound Name

7-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

IUPAC name

13-bromo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)1113-triene-28-dione

SMILES

O=C(C1N2CCC1)Nc(ccc(Br)c1)c1C2=O

InChI

InChI=1S/C12H11BrN2O2/c13-7-3-4-9-8(6-7)12(17)15-5-1-2-10(15)11(16)14-9/h3-4,6,10H,1-2,5H2,(H,14,16)/t10-/m1/s1

InChI Key

RDVLVQKLHHZHAK-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD06015647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.799

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-2.56

Polar Surface Area

42.048

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8017-2885 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8017-2885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2885?
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What is the minimum amount of 8017-2885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2885
  • 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 8017-2885 available by request