4347-7846 Screening compound: methyl 2-[(3,5,7-trimethyladamantan-1-yl)formamido]propanoate

4347-7846 Screening compound: methyl 2-[(3,5,7-trimethyladamantan-1-yl)formamido]propanoate
4347-7846 Screening compound: methyl 2-[(3,5,7-trimethyladamantan-1-yl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4347-7846
methyl 2-[(3,5,7-trimethyladamantan-1-yl)formamido]propanoate

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

4347-7846

Molecular Formula

C18H29NO3 (C18 H29 NO3)

Compound Name

methyl 2-[(3,5,7-trimethyladamantan-1-yl)formamido]propanoate

IUPAC name

methyl 2-[(357-trimethyladamantan-1-yl)formamido]propanoate

SMILES

CC(C(OC)=O)NC(C1(CC(C)(C2)C3)CC3(C)CC2(C)C1)=O

InChI

InChI=1S/C18H29NO3/c1-12(13(20)22-5)19-14(21)18-9-15(2)6-16(3,10-18)8-17(4,7-15)11-18/h12H,6-11H2,1-5H3,(H,19,21)/t12-,15?,16?,17?,18?/m0/s1

InChI Key

SXRRVCADPSLQOV-ZGKZOAOMSA-N

MDL Number (MFCD)

MFCD03447422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.08

Polar Surface Area

45.294

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.90

4347-7846 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4347-7846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4347-7846?
Check Price and Availability of 4347-7846, 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 4347-7846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4347-7846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4347-7846
  • 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 4347-7846 available by request