1189-1101 Screening compound: 3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]urea

1189-1101 Screening compound: 3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]urea
1189-1101 Screening compound: 3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-1101
3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]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

1189-1101

Molecular Formula

C18H22BrN3O (C18 H22 BrN3 O)

Compound Name

3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]urea

IUPAC name

3-(adamantan-1-yl)-1-[(Z)-[(4-bromophenyl)methylidene]amino]urea

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc1)ccc1Br

InChI

InChI=1S/C18H22BrN3O/c19-16-3-1-12(2-4-16)11-20-22-17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H2,21,22,23)

InChI Key

JARWKSWJGGKSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.91

Polar Surface Area

45.784

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

1189-1101 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1189-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-1101?
Check Price and Availability of 1189-1101, 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 1189-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-1101
  • 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 1189-1101 available by request