V028-7369 Screening compound: benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-1,4-diazepane-1-carboxylate

V028-7369 Screening compound: benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-1,4-diazepane-1-carboxylate
V028-7369 Screening compound: benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-1,4-diazepane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7369
benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-1,4-diazepane-1-carboxylate

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

V028-7369

Molecular Formula

C25H25ClFN5O3 (C25 H25 ClFN5 O3)

Compound Name

benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-1,4-diazepane-1-carboxylate

IUPAC name

benzyl 4-(5-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}pyridin-2-yl)-14-diazepane-1-carboxylate

SMILES

O=C(Nc(cc1)cc(Cl)c1F)Nc(cc1)cnc1N(CCC1)CCN1C(OCc1ccccc1)=O

InChI

InChI=1S/C25H25ClFN5O3/c26-21-15-19(7-9-22(21)27)29-24(33)30-20-8-10-23(28-16-20)31-11-4-12-32(14-13-31)25(34)35-17-18-5-2-1-3-6-18/h1-3,5-10,15-16H,4,11-14,17H2,(H2,29,30,33)

InChI Key

QRPYMFRENWWZBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911712

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.407

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-6.37

Polar Surface Area

67.810

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V028-7369 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V028-7369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7369?
Check Price and Availability of V028-7369, 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 V028-7369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7369
  • 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 V028-7369 available by request