V020-7770 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V020-7770 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V020-7770 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7770
2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V020-7770

Molecular Formula

C28H31FN4O4S (C28 H31 FN4 O4 S)

Compound Name

2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-3-tert-butyl-1-(4-fluorophenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(c(cc2)cc3c2OCO3)SC2)c(C(C)(C)C)nn1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C28H31FN4O4S/c1-5-12-30-22(34)14-32-23(35)15-38-25(17-6-11-20-21(13-17)37-16-36-20)24-26(28(2,3)4)31-33(27(24)32)19-9-7-18(29)8-10-19/h6-11,13,25H,5,12,14-16H2,1-4H3,(H,30,34)/t25-/m1/s1

InChI Key

HINWNSOXBKUQLP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19788389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.06

Polar Surface Area

71.996

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V020-7770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7770?
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What is the minimum amount of V020-7770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7770
  • 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 V020-7770 available by request