C087-0537 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea

C087-0537 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea
C087-0537 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0537
1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea

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

C087-0537

Molecular Formula

C21H28ClN3O2S (C21 H28 ClN3 O2 S)

Compound Name

1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea

IUPAC name

1-[2-(azepan-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1-[(furan-2-yl)methyl]thiourea

SMILES

COc(ccc(Cl)c1)c1NC(N(CCN1CCCCCC1)Cc1ccco1)=S

InChI

InChI=1S/C21H28ClN3O2S/c1-26-20-9-8-17(22)15-19(20)23-21(28)25(16-18-7-6-14-27-18)13-12-24-10-4-2-3-5-11-24/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,23,28)

InChI Key

RCZURJQIYOETNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-5.06

Polar Surface Area

29.401

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C087-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0537?
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What is the minimum amount of C087-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0537
  • 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 C087-0537 available by request