C088-0001 Screening compound: 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoic acid

C088-0001 Screening compound: 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoic acid
C088-0001 Screening compound: 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C088-0001
3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoic acid

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

C088-0001

Molecular Formula

C14H15NO4 (C14 H15 NO4)

Compound Name

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

IUPAC name

3-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}propanoic acid

SMILES

OC(CCN(C(C1C(C2C3C2)C=CC3C11)=O)C1=O)=O

InChI

InChI=1S/C14H15NO4/c16-10(17)3-4-15-13(18)11-6-1-2-7(9-5-8(6)9)12(11)14(15)19/h1-2,6-9,11-12H,3-5H2,(H,16,17)

InChI Key

QVKBNBWTDBEIPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07367212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.491

Distribution Coefficient, logD

-3.023

Water Solubility, LogSw

-0.11

Polar Surface Area

58.489

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

64.30

References: we are preparing a list of scientific research reports with C088-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C088-0001?
Check Price and Availability of C088-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C088-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C088-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C088-0001
  • 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 C088-0001 available by request