4333-3606 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-7-(tert-butyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4333-3606 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-7-(tert-butyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4333-3606 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-7-(tert-butyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3606
2-[(4-bromobenzyl)sulfanyl]-7-(tert-butyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

4333-3606

Molecular Formula

C28H29BrN2O2S2 (C28 H29 BrN2 O2 S2)

Compound Name

2-[(4-bromobenzyl)sulfanyl]-7-(tert-butyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-{[(4-bromophenyl)methyl]sulfanyl}-11-tert-butyl-4-(4-methoxyphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(c(cc1)ccc1OC)C(SCc(cc1)ccc1Br)=N1)=O)c1s2

InChI

InChI=1S/C28H29BrN2O2S2/c1-28(2,3)18-7-14-22-23(15-18)35-25-24(22)26(32)31(20-10-12-21(33-4)13-11-20)27(30-25)34-16-17-5-8-19(29)9-6-17/h5-6,8-13,18H,7,14-16H2,1-4H3/t18-/m1/s1

InChI Key

BPFJJBYJBCMEAS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02631122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.720

Distribution Coefficient, logD

7.720

Water Solubility, LogSw

-5.82

Polar Surface Area

32.526

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4333-3606 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4333-3606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3606?
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What is the minimum amount of 4333-3606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3606
  • 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 4333-3606 available by request