4533-0374 Screening compound: 1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-yl)urea

4533-0374 Screening compound: 1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-yl)urea
4533-0374 Screening compound: 1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4533-0374
1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-yl)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

4533-0374

Molecular Formula

C26H52N4O2 (C26 H52 N4 O2)

Compound Name

1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-yl)urea

IUPAC name

1-{[3-({[bis(butan-2-yl)carbamoyl]amino}methyl)-22-dimethylcyclobutyl]methyl}-33-bis(butan-2-yl)urea

SMILES

CCC(C)N(C(C)CC)C(NCC1C(C)(C)C(CNC(N(C(C)CC)C(C)CC)=O)C1)=O

InChI

InChI=1S/C26H52N4O2/c1-11-18(5)29(19(6)12-2)24(31)27-16-22-15-23(26(22,9)10)17-28-25(32)30(20(7)13-3)21(8)14-4/h18-23H,11-17H2,1-10H3,(H,27,31)(H,28,32)

InChI Key

WIKDZGPFVYWGGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.508

Distribution Coefficient, logD

6.508

Water Solubility, LogSw

-5.55

Polar Surface Area

51.542

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

92.30

4533-0374 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4533-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4533-0374?
Check Price and Availability of 4533-0374, 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 4533-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4533-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4533-0374
  • 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 4533-0374 available by request