C999-0372 Screening compound: N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide

C999-0372 Screening compound: N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide
C999-0372 Screening compound: N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0372
N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide

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

C999-0372

Molecular Formula

C23H29BrN4O (C23 H29 BrN4 O)

Compound Name

N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide

IUPAC name

N-(4-bromo-3-methylphenyl)-3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}propanamide

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(Nc(cc3)cc(C)c3Br)=O)c(C)nc12

InChI

InChI=1S/C23H29BrN4O/c1-13-12-17(8-10-19(13)24)26-20(29)11-9-18-14(2)21-16(4)27-28(23(5,6)7)22(21)25-15(18)3/h8,10,12H,9,11H2,1-7H3,(H,26,29)

InChI Key

AGWSTRKNUHORKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.21

Polar Surface Area

48.056

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C999-0372 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C999-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0372?
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What is the minimum amount of C999-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0372
  • 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 C999-0372 available by request