3795-0247 Screening compound: N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-3-phenylpropanamide

3795-0247 Screening compound: N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-3-phenylpropanamide
3795-0247 Screening compound: N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0247
N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-3-phenylpropanamide

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

3795-0247

Molecular Formula

C33H25BrN2O3 (C33 H25 BrN2 O3)

Compound Name

N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-3-phenylpropanamide

IUPAC name

N-(4-bromophenyl)-2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C33H25BrN2O3/c34-20-14-16-21(17-15-20)35-31(37)26(18-19-8-2-1-3-9-19)36-32(38)29-27-22-10-4-5-11-23(22)28(30(29)33(36)39)25-13-7-6-12-24(25)27/h1-17,26-30H,18H2,(H,35,37)

InChI Key

QMPARPRPTAIPEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.000

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-6.00

Polar Surface Area

51.078

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.20

3795-0247 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3795-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0247?
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What is the minimum amount of 3795-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0247
  • 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 3795-0247 available by request