1650-0361 Screening compound: 4-[1-acetyl-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]phenyl acetate

1650-0361 Screening compound: 4-[1-acetyl-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]phenyl acetate
1650-0361 Screening compound: 4-[1-acetyl-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]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1650-0361
4-[1-acetyl-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]phenyl acetate

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

1650-0361

Molecular Formula

C28H21NO5 (C28 H21 NO5)

Compound Name

4-[1-acetyl-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]phenyl acetate

IUPAC name

4-{1-acetyl-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}phenyl acetate

SMILES

CC(C(C(C(C12)C(N3c(cc4)ccc4OC(C)=O)=O)C3=O)(c3c2cccc3)c2c1cccc2)=O

InChI

InChI=1S/C28H21NO5/c1-15(30)28-21-9-5-3-7-19(21)23(20-8-4-6-10-22(20)28)24-25(28)27(33)29(26(24)32)17-11-13-18(14-12-17)34-16(2)31/h3-14,23-25H,1-2H3

InChI Key

CIZJDXHSLVSQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00328143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.46

Polar Surface Area

63.027

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-7.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

1650-0361 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1650-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1650-0361?
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What is the minimum amount of 1650-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1650-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1650-0361
  • 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 1650-0361 available by request