V012-5528 Screening compound: benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate

V012-5528 Screening compound: benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
V012-5528 Screening compound: benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5528
benzyl 4-{5-[3-(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

V012-5528

Molecular Formula

C26H25F3N4O3 (C26 H25 F3 N4 O3)

Compound Name

benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate

IUPAC name

benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-14-diazepane-1-carboxylate

SMILES

O=C(c1cccc(C(F)(F)F)c1)Nc(cc1)cnc1N(CCC1)CCN1C(OCc1ccccc1)=O

InChI

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

InChI Key

WALHDLPATRECPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911482

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

5.830

Distribution Coefficient, logD

5.819

Water Solubility, LogSw

-5.91

Polar Surface Area

58.598

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V012-5528 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V012-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5528?
Check Price and Availability of V012-5528, 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 V012-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5528
  • 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 V012-5528 available by request