SD31-0330 Screening compound: 1-(2-{[(2-bromoanilino)carbonyl]amino}ethyl)-N~3~-cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

SD31-0330 Screening compound: 1-(2-{[(2-bromoanilino)carbonyl]amino}ethyl)-N~3~-cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SD31-0330 Screening compound: 1-(2-{[(2-bromoanilino)carbonyl]amino}ethyl)-N~3~-cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0330
1-(2-{[(2-bromoanilino)carbonyl]amino}ethyl)-N~3~-cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

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

SD31-0330

Molecular Formula

C19H22BrN5O3 (C19 H22 BrN5 O3)

Compound Name

1-(2-{[(2-bromoanilino)carbonyl]amino}ethyl)-N~3~-cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopropyl-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

O=C(c1nn(CCNC(Nc(cccc2)c2Br)=O)c2c1COCC2)NC1CC1

InChI

InChI=1S/C19H22BrN5O3/c20-14-3-1-2-4-15(14)23-19(27)21-8-9-25-16-7-10-28-11-13(16)17(24-25)18(26)22-12-5-6-12/h1-4,12H,5-11H2,(H,22,26)(H2,21,23,27)

InChI Key

KSQUBONPVJCRBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-1.99

Polar Surface Area

80.514

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

SD31-0330 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD31-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0330?
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What is the minimum amount of SD31-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0330
  • 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 SD31-0330 available by request