8012-8621 Screening compound: 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoic acid

8012-8621 Screening compound: 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoic acid
8012-8621 Screening compound: 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8621
4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoic 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

8012-8621

Molecular Formula

C19H27NO4 (C19 H27 NO4)

Compound Name

4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoic acid

IUPAC name

3-{[2-(22-dimethyl-4-phenyloxan-4-yl)ethyl]carbamoyl}propanoic acid

SMILES

CC(C)(C1)OCCC1(CCNC(CCC(O)=O)=O)c1ccccc1

InChI

InChI=1S/C19H27NO4/c1-18(2)14-19(11-13-24-18,15-6-4-3-5-7-15)10-12-20-16(21)8-9-17(22)23/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23)/t19-/m0/s1

InChI Key

LRLCVRAFFOKFPB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02059549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

-1.078

Water Solubility, LogSw

-2.13

Polar Surface Area

60.055

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

8012-8621 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8012-8621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8621?
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What is the minimum amount of 8012-8621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8621
  • 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 8012-8621 available by request