8013-3036 Screening compound: N~1~-(2-{[4-(2,5-dimethoxybenzoyl)benzoyl]amino}phenyl)-4-(trifluoromethyl)benzamide

8013-3036 Screening compound: N~1~-(2-{[4-(2,5-dimethoxybenzoyl)benzoyl]amino}phenyl)-4-(trifluoromethyl)benzamide
8013-3036 Screening compound: N~1~-(2-{[4-(2,5-dimethoxybenzoyl)benzoyl]amino}phenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3036
N~1~-(2-{[4-(2,5-dimethoxybenzoyl)benzoyl]amino}phenyl)-4-(trifluoromethyl)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

8013-3036

Molecular Formula

C30H23F3N2O5 (C30 H23 F3 N2 O5)

Compound Name

N~1~-(2-{[4-(2,5-dimethoxybenzoyl)benzoyl]amino}phenyl)-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[4-(25-dimethoxybenzoyl)benzamido]phenyl}-4-(trifluoromethyl)benzamide

SMILES

COc(cc1)cc(C(c(cc2)ccc2C(Nc(cccc2)c2NC(c2ccc(C(F)(F)F)cc2)=O)=O)=O)c1OC

InChI

InChI=1S/C30H23F3N2O5/c1-39-22-15-16-26(40-2)23(17-22)27(36)18-7-9-19(10-8-18)28(37)34-24-5-3-4-6-25(24)35-29(38)20-11-13-21(14-12-20)30(31,32)33/h3-17H,1-2H3,(H,34,37)(H,35,38)

InChI Key

YDFKPGXAIVFCDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.570

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-5.56

Polar Surface Area

73.666

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-3036 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3036?
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What is the minimum amount of 8013-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3036
  • 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 8013-3036 available by request