3970-1101 Screening compound: 4-(3-bromo-4-methylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

3970-1101 Screening compound: 4-(3-bromo-4-methylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
3970-1101 Screening compound: 4-(3-bromo-4-methylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1101
4-(3-bromo-4-methylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-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

3970-1101

Molecular Formula

C19H18BrNO2 (C19 H18 BrNO2)

Compound Name

4-(3-bromo-4-methylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(3-bromo-4-methylphenyl)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CC(C)=C1C(C2C(N3c4cc(Br)c(C)cc4)=O)C=CC1C2C3=O

InChI

InChI=1S/C19H18BrNO2/c1-9(2)15-12-6-7-13(15)17-16(12)18(22)21(19(17)23)11-5-4-10(3)14(20)8-11/h4-8,12-13,16-17H,1-3H3

InChI Key

QZQZISHGPPUQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.71

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

-9.21

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.80

3970-1101 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3970-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1101?
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What is the minimum amount of 3970-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1101
  • 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 3970-1101 available by request