4347-6966 Screening compound: methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate

4347-6966 Screening compound: methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate
4347-6966 Screening compound: methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4347-6966
methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate

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

4347-6966

Molecular Formula

C17H27NO3 (C17 H27 NO3)

Compound Name

methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate

IUPAC name

methyl 2-[(adamantan-1-yl)formamido]-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C17H27NO3/c1-10(2)14(15(19)21-3)18-16(20)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,4-9H2,1-3H3,(H,18,20)/t11?,12?,13?,14-,17?/m0/s1

InChI Key

IHIMTTHXLDZHGU-ZZTKBFGJSA-N

MDL Number (MFCD)

MFCD00665976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.09

Polar Surface Area

45.483

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.20

4347-6966 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4347-6966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4347-6966?
Check Price and Availability of 4347-6966, 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 4347-6966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4347-6966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4347-6966
  • 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 4347-6966 available by request