V028-6552 Screening compound: benzyl 4-{5-[2-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate

V028-6552 Screening compound: benzyl 4-{5-[2-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
V028-6552 Screening compound: benzyl 4-{5-[2-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6552
benzyl 4-{5-[2-(trifluoromethyl)benzamido]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

V028-6552

Molecular Formula

C26H25F3N4O3 (C26 H25 F3 N4 O3)

Compound Name

benzyl 4-{5-[2-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate

IUPAC name

n/a

SMILES

O=C(c1c(C(F)(F)F)cccc1)Nc(cc1)cnc1N(CCC1)CCN1C(OCc1ccccc1)=O

InChI

InChI=1S/C26H25F3N4O3/c27-26(28,29)22-10-5-4-9-21(22)24(34)31-20-11-12-23(30-17-20)32-13-6-14-33(16-15-32)25(35)36-18-19-7-2-1-3-8-19/h1-5,7-12,17H,6,13-16,18H2,(H,31,34)

InChI Key

RRUYJWJDLHIUTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911617

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.54

Polar Surface Area

58.598

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

V028-6552 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-6552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6552?
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What is the minimum amount of V028-6552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6552
  • 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 V028-6552 available by request