V021-2983 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V021-2983 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V021-2983 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-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 V021-2983
2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-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

V021-2983

Molecular Formula

C28H31FN4O3S (C28 H31 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cc(F)ccc1)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C28H31FN4O3S/c1-28(2,3)26-24-25(17-6-5-7-18(29)14-17)37-16-23(35)32(15-22(34)30-19-8-9-19)27(24)33(31-26)20-10-12-21(36-4)13-11-20/h5-7,10-14,19,25H,8-9,15-16H2,1-4H3,(H,30,34)/t25-/m1/s1

InChI Key

FBPGSKMTNXVSOA-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19795277

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.64

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

5.092

Distribution Coefficient, logD

5.092

Water Solubility, LogSw

-4.94

Polar Surface Area

62.368

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 V021-2983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2983?
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What is the minimum amount of V021-2983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2983
  • 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 V021-2983 available by request