V028-1076 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-3-(propan-2-yl)urea

V028-1076 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-3-(propan-2-yl)urea
V028-1076 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1076
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-3-(propan-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

V028-1076

Molecular Formula

C29H34N6O4 (C29 H34 N6 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-3-(propan-2-yl)urea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccccc1)=O)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C29H34N6O4/c1-21(2)30-29(37)35(18-22-9-11-25-26(17-22)39-20-38-25)19-28(36)34-14-6-13-33(15-16-34)27-12-10-24(31-32-27)23-7-4-3-5-8-23/h3-5,7-12,17,21H,6,13-16,18-20H2,1-2H3,(H,30,37)

InChI Key

JQTJHFMMRBZWSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19832925

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.84

Polar Surface Area

83.601

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V028-1076 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V028-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1076?
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What is the minimum amount of V028-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1076
  • 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 V028-1076 available by request