C737-1691 Screening compound: N-(2-methoxy-5-methylphenyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

C737-1691 Screening compound: N-(2-methoxy-5-methylphenyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide
C737-1691 Screening compound: N-(2-methoxy-5-methylphenyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-1691
N-(2-methoxy-5-methylphenyl)-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

C737-1691

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

Cc(cc1)cc(NC(C2CCC(CNS(c3cccc4cccnc34)(=O)=O)CC2)=O)c1OC

InChI

InChI=1S/C25H29N3O4S/c1-17-8-13-22(32-2)21(15-17)28-25(29)20-11-9-18(10-12-20)16-27-33(30,31)23-7-3-5-19-6-4-14-26-24(19)23/h3-8,13-15,18,20,27H,9-12,16H2,1-2H3,(H,28,29)

InChI Key

WHVZBCCGXZWOFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.70

Polar Surface Area

81.746

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C737-1691 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 C737-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-1691?
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What is the minimum amount of C737-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-1691
  • 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 C737-1691 available by request