3795-0515 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(7),3,5,9(14),10,12-hexaen-17-yl]hexanamide

3795-0515 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(7),3,5,9(14),10,12-hexaen-17-yl]hexanamide
3795-0515 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(7),3,5,9(14),10,12-hexaen-17-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0515
N~1~-(4-bromophenyl)-2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanamide

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

3795-0515

Molecular Formula

C30H27BrN2O3 (C30 H27 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(7),3,5,9(14),10,12-hexaen-17-yl]hexanamide

IUPAC name

N-(4-bromophenyl)-2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}hexanamide

SMILES

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

InChI

InChI=1S/C30H27BrN2O3/c1-2-3-12-23(28(34)32-18-15-13-17(31)14-16-18)33-29(35)26-24-19-8-4-5-9-20(19)25(27(26)30(33)36)22-11-7-6-10-21(22)24/h4-11,13-16,23-27H,2-3,12H2,1H3,(H,32,34)

InChI Key

NXPDGSLBFOLYLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.796

Distribution Coefficient, logD

5.796

Water Solubility, LogSw

-5.56

Polar Surface Area

51.349

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3795-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0515?
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What is the minimum amount of 3795-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0515
  • 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 3795-0515 available by request