8008-6279 Screening compound: N~1~-(tert-butyl)-N~4~,N~4~-dicyclohexylterephthalamide

8008-6279 Screening compound: N~1~-(tert-butyl)-N~4~,N~4~-dicyclohexylterephthalamide
8008-6279 Screening compound: N~1~-(tert-butyl)-N~4~,N~4~-dicyclohexylterephthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6279
N~1~-(tert-butyl)-N~4~,N~4~-dicyclohexylterephthalamide

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

8008-6279

Molecular Formula

C24H36N2O2 (C24 H36 N2 O2)

Compound Name

N~1~-(tert-butyl)-N~4~,N~4~-dicyclohexylterephthalamide

IUPAC name

N4-tert-butyl-N1N1-dicyclohexylbenzene-14-dicarboxamide

SMILES

CC(C)(C)NC(c(cc1)ccc1C(N(C1CCCCC1)C1CCCCC1)=O)=O

InChI

InChI=1S/C24H36N2O2/c1-24(2,3)25-22(27)18-14-16-19(17-15-18)23(28)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h14-17,20-21H,4-13H2,1-3H3,(H,25,27)

InChI Key

PBFHLUJHJVBMIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-4.98

Polar Surface Area

38.284

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8008-6279 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-6279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6279?
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What is the minimum amount of 8008-6279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6279
  • 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 8008-6279 available by request