7770-3968 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

7770-3968 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
7770-3968 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7770-3968
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-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

7770-3968

Molecular Formula

C26H23ClN4O5 (C26 H23 ClN4 O5)

Compound Name

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[4-chloro-3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

Cc(cc1C)cc2c1oc(-c(cc(cc1)NC(c(cc(cc3)[N+]([O-])=O)c3N3CCOCC3)=O)c1Cl)n2

InChI

InChI=1S/C26H23ClN4O5/c1-15-11-16(2)24-22(12-15)29-26(36-24)19-13-17(3-5-21(19)27)28-25(32)20-14-18(31(33)34)4-6-23(20)30-7-9-35-10-8-30/h3-6,11-14H,7-10H2,1-2H3,(H,28,32)

InChI Key

FXOINMSAZJVLBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.93

Polar Surface Area

84.814

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

7770-3968 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 7770-3968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7770-3968?
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What is the minimum amount of 7770-3968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7770-3968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7770-3968
  • 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 7770-3968 available by request