V020-1047 Screening compound: tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V020-1047 Screening compound: tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V020-1047 Screening compound: tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1047
tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

V020-1047

Molecular Formula

C28H30FN3O4S (C28 H30 FN3 O4 S)

Compound Name

tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

tert-butyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-5-(2-methoxyphenyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)(C)OC(C1=C(C)N=C2SC=C(CC(NCc(cc3)ccc3F)=O)N2C1c(cccc1)c1OC)=O

InChI

InChI=1S/C28H30FN3O4S/c1-17-24(26(34)36-28(2,3)4)25(21-8-6-7-9-22(21)35-5)32-20(16-37-27(32)31-17)14-23(33)30-15-18-10-12-19(29)13-11-18/h6-13,16,25H,14-15H2,1-5H3,(H,30,33)/t25-/m1/s1

InChI Key

QQMUQZBSCLPLNG-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19827860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-4.82

Polar Surface Area

63.350

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V020-1047 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1047?
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What is the minimum amount of V020-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1047
  • 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 V020-1047 available by request