K038-0006 Screening compound: 1-(adamantan-1-yl)-3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]urea

K038-0006 Screening compound: 1-(adamantan-1-yl)-3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]urea
K038-0006 Screening compound: 1-(adamantan-1-yl)-3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K038-0006
1-(adamantan-1-yl)-3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)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

K038-0006

Molecular Formula

C18H21Br2N3O2 (C18 H21 Br2 N3 O2)

Compound Name

1-(adamantan-1-yl)-3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]urea

IUPAC name

1-(adamantan-1-yl)-3-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]urea

SMILES

Oc(c(/C=N/NC(NC1(CC(C2)C3)CC3CC2C1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C18H21Br2N3O2/c19-14-4-13(16(24)15(20)5-14)9-21-23-17(25)22-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12,24H,1-3,6-8H2,(H2,22,23,25)

InChI Key

KIRDIZZQSMTQNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.695

Distribution Coefficient, logD

5.651

Water Solubility, LogSw

-5.56

Polar Surface Area

61.263

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

K038-0006 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K038-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K038-0006?
Check Price and Availability of K038-0006, 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 K038-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K038-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K038-0006
  • 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 K038-0006 available by request