4347-7585 Screening compound: 3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea

4347-7585 Screening compound: 3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea
4347-7585 Screening compound: 3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4347-7585
3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea

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

4347-7585

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea

IUPAC name

3-(adamantan-1-yl)-1-(4-methylbenzenesulfonamido)urea

SMILES

Cc(cc1)ccc1S(NNC(NC1(CC(C2)C3)CC3CC2C1)=O)(=O)=O

InChI

InChI=1S/C18H25N3O3S/c1-12-2-4-16(5-3-12)25(23,24)21-20-17(22)19-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,21H,6-11H2,1H3,(H2,19,20,22)

InChI Key

CZRCAJXMINZMJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02945426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.49

Polar Surface Area

76.938

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

4347-7585 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4347-7585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4347-7585?
Check Price and Availability of 4347-7585, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4347-7585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4347-7585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4347-7585
  • 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 4347-7585 available by request