V027-2745 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V027-2745 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V027-2745 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2745
2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

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

V027-2745

Molecular Formula

C29H32F2N4O3S (C29 H32 F2 N4 O3 S)

Compound Name

2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-fluorophenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c1cc(F)ccc1)SC1)c2N(CC(NCC3OCCC3)=O)C1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C29H32F2N4O3S/c1-29(2,3)27-25-26(18-6-4-7-20(31)14-18)39-17-24(37)34(16-23(36)32-15-22-8-5-13-38-22)28(25)35(33-27)21-11-9-19(30)10-12-21/h4,6-7,9-12,14,22,26H,5,8,13,15-17H2,1-3H3,(H,32,36)

InChI Key

UKKABSDHNUNMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788394

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.46

Polar Surface Area

63.422

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V027-2745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2745?
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What is the minimum amount of V027-2745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2745
  • 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 V027-2745 available by request