D491-4174 Screening compound: 3-chloro-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

D491-4174 Screening compound: 3-chloro-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide
D491-4174 Screening compound: 3-chloro-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4174
3-chloro-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

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

D491-4174

Molecular Formula

C16H13ClN2O3 (C16 H13 ClN2 O3)

Compound Name

3-chloro-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

IUPAC name

3-chloro-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)benzamide

SMILES

CC1Oc(ccc(NC(c2cccc(Cl)c2)=O)c2)c2NC1=O

InChI

InChI=1S/C16H13ClN2O3/c1-9-15(20)19-13-8-12(5-6-14(13)22-9)18-16(21)10-3-2-4-11(17)7-10/h2-9H,1H3,(H,18,21)(H,19,20)/t9-/m1/s1

InChI Key

YKNKBNQLPDZUCL-SECBINFHSA-N

MDL Number (MFCD)

MFCD08890107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-3.38

Polar Surface Area

55.938

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D491-4174 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D491-4174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4174?
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What is the minimum amount of D491-4174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4174
  • 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 D491-4174 available by request