C737-1673 Screening compound: N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

C737-1673 Screening compound: N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide
C737-1673 Screening compound: N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-1673
N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

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

C737-1673

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-[4-(propan-2-yl)phenyl]-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(C1CCC(CNS(c2cccc3cccnc23)(=O)=O)CC1)=O

InChI

InChI=1S/C26H31N3O3S/c1-18(2)20-12-14-23(15-13-20)29-26(30)22-10-8-19(9-11-22)17-28-33(31,32)24-7-3-5-21-6-4-16-27-25(21)24/h3-7,12-16,18-19,22,28H,8-11,17H2,1-2H3,(H,29,30)

InChI Key

CBKRRNBGVPJVCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

5.017

Water Solubility, LogSw

-4.79

Polar Surface Area

74.813

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C737-1673 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 C737-1673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-1673?
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What is the minimum amount of C737-1673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-1673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-1673
  • 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 C737-1673 available by request