3271-0064 Screening compound: N~1~-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-adamantanecarboxamide

3271-0064 Screening compound: N~1~-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-adamantanecarboxamide
3271-0064 Screening compound: N~1~-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3271-0064
N~1~-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-adamantanecarboxamide

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

3271-0064

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

N~1~-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-adamantanecarboxamide

IUPAC name

N-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NN(C(C1C(C2C3C2)C=CC3C11)=O)C1=O

InChI

InChI=1S/C22H26N2O3/c25-19-17-13-1-2-14(16-6-15(13)16)18(17)20(26)24(19)23-21(27)22-7-10-3-11(8-22)5-12(4-10)9-22/h1-2,10-18H,3-9H2,(H,23,27)

InChI Key

LHPDNQMEZBYLEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.05

Polar Surface Area

56.290

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

77.30

3271-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3271-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3271-0064?
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What is the minimum amount of 3271-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3271-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3271-0064
  • 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 3271-0064 available by request