D715-1603 Screening compound: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide

D715-1603 Screening compound: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide
D715-1603 Screening compound: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1603
4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide

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

D715-1603

Molecular Formula

C21H22FN3O4 (C21 H22 FN3 O4)

Compound Name

4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide

IUPAC name

4-[4-(6-fluoro-12-benzoxazol-3-yl)piperidin-1-yl]-N-[(furan-2-yl)methyl]-4-oxobutanamide

SMILES

O=C(CCC(N(CC1)CCC1c1noc2c1ccc(F)c2)=O)NCc1ccco1

InChI

InChI=1S/C21H22FN3O4/c22-15-3-4-17-18(12-15)29-24-21(17)14-7-9-25(10-8-14)20(27)6-5-19(26)23-13-16-2-1-11-28-16/h1-4,11-12,14H,5-10,13H2,(H,23,26)

InChI Key

VHXLKSBHNLFAMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.29

Polar Surface Area

70.507

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D715-1603 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1603?
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What is the minimum amount of D715-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1603
  • 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 D715-1603 available by request