V028-5880 Screening compound: 3-TERT-BUTYL-1-(6-{4-[(PYRIDIN-3-YL)METHYL]-1,4-DIAZEPAN-1-YL}PYRIDIN-3-YL)UREA

V028-5880 Screening compound: 3-TERT-BUTYL-1-(6-{4-[(PYRIDIN-3-YL)METHYL]-1,4-DIAZEPAN-1-YL}PYRIDIN-3-YL)UREA
V028-5880 Screening compound: 3-TERT-BUTYL-1-(6-{4-[(PYRIDIN-3-YL)METHYL]-1,4-DIAZEPAN-1-YL}PYRIDIN-3-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5880
3-TERT-BUTYL-1-(6-{4-[(PYRIDIN-3-YL)METHYL]-1,4-DIAZEPAN-1-YL}PYRIDIN-3-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

V028-5880

Molecular Formula

C21H30N6O (C21 H30 N6 O)

Compound Name

3-TERT-BUTYL-1-(6-{4-[(PYRIDIN-3-YL)METHYL]-1,4-DIAZEPAN-1-YL}PYRIDIN-3-YL)UREA

IUPAC name

n/a

SMILES

CC(C)(C)NC(Nc(cc1)cnc1N1CCN(Cc2cnccc2)CCC1)=O

InChI

InChI=1S/C21H30N6O/c1-21(2,3)25-20(28)24-18-7-8-19(23-15-18)27-11-5-10-26(12-13-27)16-17-6-4-9-22-14-17/h4,6-9,14-15H,5,10-13,16H2,1-3H3,(H2,24,25,28)

InChI Key

LOXMTRWHQHOMFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-2.88

Polar Surface Area

58.402

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

V028-5880 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-5880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5880?
Check Price and Availability of V028-5880, 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 V028-5880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5880
  • 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 V028-5880 available by request