1552-0068 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 6-[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]hexanoate

1552-0068 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 6-[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]hexanoate
1552-0068 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 6-[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]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1552-0068
2-(4-bromophenyl)-2-oxoethyl 6-[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]hexanoate

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

1552-0068

Molecular Formula

C32H28BrNO5 (C32 H28 BrNO5)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 6-[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]hexanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 6-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}hexanoate

SMILES

O=C(COC(CCCCCN(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C32H28BrNO5/c33-20-15-13-19(14-16-20)25(35)18-39-26(36)12-2-1-7-17-34-31(37)29-27-21-8-3-4-9-22(21)28(30(29)32(34)38)24-11-6-5-10-23(24)27/h3-6,8-11,13-16,27-30H,1-2,7,12,17-18H2

InChI Key

VRBJGNQCZNVEAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.36

Polar Surface Area

62.821

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-7.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 1552-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1552-0068?
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What is the minimum amount of 1552-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1552-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1552-0068
  • 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 1552-0068 available by request