V020-3881 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V020-3881 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V020-3881 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3881
2-[3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

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

V020-3881

Molecular Formula

C28H31FN4O2S (C28 H31 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cc(C)ccc1)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C28H31FN4O2S/c1-17-6-5-7-18(14-17)25-24-26(28(2,3)4)31-33(21-12-8-19(29)9-13-21)27(24)32(23(35)16-36-25)15-22(34)30-20-10-11-20/h5-9,12-14,20,25H,10-11,15-16H2,1-4H3,(H,30,34)/t25-/m1/s1

InChI Key

WHZQDLICAWVSHE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19804928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.36

Polar Surface Area

54.824

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V020-3881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3881?
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What is the minimum amount of V020-3881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3881
  • 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 V020-3881 available by request