D107-1021 Screening compound: N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-4-nitrobenzamide

D107-1021 Screening compound: N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-4-nitrobenzamide
D107-1021 Screening compound: N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1021
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-4-nitrobenzamide

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

D107-1021

Molecular Formula

C15H15N3O4 (C15 H15 N3 O4)

Compound Name

N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-4-nitrobenzamide

IUPAC name

N-(5-methyl-4567-tetrahydro-21-benzoxazol-3-yl)-4-nitrobenzamide

SMILES

CC1Cc2c(NC(c(cc3)ccc3[N+]([O-])=O)=O)onc2CC1

InChI

InChI=1S/C15H15N3O4/c1-9-2-7-13-12(8-9)15(22-17-13)16-14(19)10-3-5-11(6-4-10)18(20)21/h3-6,9H,2,7-8H2,1H3,(H,16,19)/t9-/m1/s1

InChI Key

LTSFWTHSANWTTH-SECBINFHSA-N

MDL Number (MFCD)

MFCD08545762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.63

Polar Surface Area

80.220

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D107-1021 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D107-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1021?
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What is the minimum amount of D107-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1021
  • 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 D107-1021 available by request