V021-2973 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V021-2973 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V021-2973 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-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 V021-2973
2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-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

V021-2973

Molecular Formula

C28H33FN4O2S (C28 H33 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(c1c(C(c2cc(F)ccc2)SC2)c(C(C)(C)C)nn1-c1c(C)cccc1)C2=O)=O

InChI

InChI=1S/C28H33FN4O2S/c1-6-14-30-22(34)16-32-23(35)17-36-25(19-11-9-12-20(29)15-19)24-26(28(3,4)5)31-33(27(24)32)21-13-8-7-10-18(21)2/h7-13,15,25H,6,14,16-17H2,1-5H3,(H,30,34)/t25-/m1/s1

InChI Key

RVJNMYKVLYPMTF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19978079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.40

Polar Surface Area

54.580

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 V021-2973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2973?
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What is the minimum amount of V021-2973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2973
  • 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 V021-2973 available by request