7770-3997 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide

7770-3997 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide
7770-3997 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7770-3997
N-{2-methoxy-5-[5-(propan-2-yl)-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

7770-3997

Molecular Formula

C28H28N4O6 (C28 H28 N4 O6)

Compound Name

N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-{2-methoxy-5-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)cc(NC(c(cc(cc3)[N+]([O-])=O)c3N3CCOCC3)=O)c1OC)n2

InChI

InChI=1S/C28H28N4O6/c1-17(2)18-4-9-26-23(14-18)30-28(38-26)19-5-8-25(36-3)22(15-19)29-27(33)21-16-20(32(34)35)6-7-24(21)31-10-12-37-13-11-31/h4-9,14-17H,10-13H2,1-3H3,(H,29,33)

InChI Key

YVAUPNVCKHTWEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09598010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.41

Polar Surface Area

91.514

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7770-3997 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7770-3997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7770-3997?
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What is the minimum amount of 7770-3997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7770-3997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7770-3997
  • 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 7770-3997 available by request