J094-0087 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0087 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0087 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0087
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

J094-0087

Molecular Formula

C21H16Br2N4O2S (C21 H16 Br2 N4 O2 S)

Compound Name

1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(6-bromo-13-benzothiazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)cc(Br)c2OC)c2NC1=O)nn2-c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C21H16Br2N4O2S/c1-10-19-13(11-3-6-16(29-2)14(23)7-11)9-18(28)25-20(19)27(26-10)21-24-15-5-4-12(22)8-17(15)30-21/h3-8,13H,9H2,1-2H3,(H,25,28)/t13-/m1/s1

InChI Key

IUFSPGXLIJBMBQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15080717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-5.15

Polar Surface Area

56.257

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with J094-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0087?
Check Price and Availability of J094-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J094-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0087
  • 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 J094-0087 available by request